Cas no 253688-61-8 (Desmethyl Bosentan-d4)
Desmethyl Bosentan-d4 structure
Product Name:Desmethyl Bosentan-d4
CAS No:253688-61-8
MF:C26H27N5O6S
MW:537.58748459816
CID:825405
PubChem ID:6426756
Update Time:2025-04-19
Desmethyl Bosentan-d4 Chemical and Physical Properties
Names and Identifiers
-
- Desmethyl Bosentan
- Desmethyl Bosentan-d4
- 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
- J-015961
- SCHEMBL7796731
- AKOS030240417
- BDBM50532572
- UNII-N373R7N42R
- 4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-HYDROXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)BENZENESULFONAMIDE
- BOSENTAN METABOLITE, RO 47-8634
- NS00116369
- HY-145516
- 4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide
- BENZENESULFONAMIDE, 4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-HYDROXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-
- 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide
- Ro 47-8634
- DEMETHOXYBOSENTAN
- 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide; Ro 47-8634; Bosentan O-Desmethyl Impurity; 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy); [2,2'-Bipyrimidin]-4-yl]benzenesulfonamide;
- CHEMBL3956076
- CS-0375611
- 4-tert-butyl-N-(6-(2-hydroxy-ethoxy)-5-(2-hydroxy-phenoxy)-2,2'-bipyrimidin-4-yl)-benzenesulfonamide
- 253688-61-8
- DTXSID10423786
- Ro-47-8634
- N373R7N42R
-
- Inchi: 1S/C26H27N5O6S/c1-26(2,3)17-9-11-18(12-10-17)38(34,35)31-22-21(37-20-8-5-4-7-19(20)33)25(36-16-15-32)30-24(29-22)23-27-13-6-14-28-23/h4-14,32-33H,15-16H2,1-3H3,(H,29,30,31)
- InChI Key: STTLKJGYAWXIPP-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)C(C)(C)C)(NC1C(=C(N=C(C2N=CC=CN=2)N=1)OCCO)OC1C=CC=CC=1O)(=O)=O
Computed Properties
- Exact Mass: 537.16800
- Monoisotopic Mass: 537.16820477g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 38
- Rotatable Bond Count: 10
- Complexity: 823
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 165?2
Experimental Properties
- PSA: 165.03000
- LogP: 5.05470
Desmethyl Bosentan-d4 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D291277-1mg |
Desmethyl Bosentan-d4 |
253688-61-8 | 1mg |
$ 205.00 | 2022-01-09 | ||
| TRC | D291275-1mg |
Desmethyl Bosentan |
253688-61-8 | 1mg |
$ 238.00 | 2023-09-08 | ||
| TRC | D291277-10mg |
Desmethyl Bosentan-d4 |
253688-61-8 | 10mg |
$ 1590.00 | 2022-01-09 | ||
| TRC | D291275-2mg |
Desmethyl Bosentan |
253688-61-8 | 2mg |
$436.00 | 2023-05-18 | ||
| TRC | D291275-5mg |
Desmethyl Bosentan |
253688-61-8 | 5mg |
$ 1041.00 | 2023-09-08 | ||
| TRC | D291275-10mg |
Desmethyl Bosentan |
253688-61-8 | 10mg |
$ 1850.00 | 2023-09-08 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-218149-1 mg |
Desmethyl Bosentan, |
253688-61-8 | 1mg |
¥3,234.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-218149-1mg |
Desmethyl Bosentan, |
253688-61-8 | 1mg |
¥3234.00 | 2023-09-05 | ||
| 1PlusChem | 1P007NUP-1mg |
Desmethyl Bosentan |
253688-61-8 | ≥95% | 1mg |
$279.00 | 2024-05-20 | |
| 1PlusChem | 1P007NUP-5mg |
Desmethyl Bosentan |
253688-61-8 | ≥95% | 5mg |
$1137.00 | 2024-05-20 |
Desmethyl Bosentan-d4 Related Literature
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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