Cas no 33074-98-5 ( )
structure
Product Name:
CAS No:33074-98-5
MF:C17H24N4O6S2
MW:444.525661468506
CID:917572
PubChem ID:321000
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-(acetyloxymethyl)-7-[[2-(N,N'-diethylcarbamimidoyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R)-3-acetoxymethyl-7t-[2-(N,N'-diethyl-carbamimidoylsulfanyl)-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- AC1L83EP
- NSC270292
- DTXSID00313445
- NSC-270292
- 33074-98-5
-
-
- Inchi： 1S/C17H24N4O6S2/c1-4-18-17(19-5-2)29-8-11(23)20-12-14(24)21-13(16(25)26)10(6-27-9(3)22)7-28-15(12)21/h12,15H,4-8H2,1-3H3,(H,18,19)(H,20,23)(H,25,26)
- InChI Key： QGIQVDXCNNPRCE-UHFFFAOYSA-N
- SMILES： S1CC(COC(C)=O)=C(C(=O)O)N2C(C(C12)NC(CS/C(=N/CC)/NCC)=O)=O
Computed Properties
- Exact Mass: 444.11392
- Monoisotopic Mass: 444.11372685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 29
- Rotatable Bond Count: 11
- Complexity: 754
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 188?2
Experimental Properties
- PSA: 137.4
- LogP: 0.72640
Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
33074-98-5 ( ) Related Products
- 33075-00-2(Cefathiamidine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
