Cas no 59921-63-0 (Hexadecyl 3,5-dinitro-2-(7h-purin-6-ylsulfanyl)benzoate)
59921-63-0 structure
Product Name:Hexadecyl 3,5-dinitro-2-(7h-purin-6-ylsulfanyl)benzoate
CAS No:59921-63-0
MF:C28H38N6O6S
MW:586.702925205231
CID:950926
PubChem ID:3968385
Update Time:2025-04-19
Hexadecyl 3,5-dinitro-2-(7h-purin-6-ylsulfanyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Hexadecyl 3,5-dinitro-2-(7h-purin-6-ylsulfanyl)benzoate
- 3,5-dinitro-2-(7(9)H-purin-6-ylsulfanyl)-benzoic acid hexadecyl ester
- AC1N0TFI
- Benzoic acid,5-dinitro-2-(1H-purin-6-ylthio)-, hexadecyl ester
- NSC244718
- DTXSID80398295
- 59921-63-0
- NSC-244718
- DS-007124
- Benzoic acid, 3,5-dinitro-2-(1H-purin-6-ylthio)-, hexadecyl ester
-
- Inchi： 1S/C28H38N6O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-40-28(35)22-17-21(33(36)37)18-23(34(38)39)25(22)41-27-24-26(30-19-29-24)31-20-32-27/h17-20H,2-16H2,1H3,(H,29,30,31,32)
- InChI Key： ICLGESMTMDAOGE-UHFFFAOYSA-N
- SMILES： S(C1=C2C(=NC=N1)N=CN2)C1C(=CC(=CC=1C(=O)OCCCCCCCCCCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 586.25764
- Monoisotopic Mass: 586.257354
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 41
- Rotatable Bond Count: 19
- Complexity: 799
- 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
- Topological Polar Surface Area: 198
- XLogP3: 9.8
Experimental Properties
- Density: 1.32
- Boiling Point: 690.2°C at 760 mmHg
- Flash Point: 371.2°C
- Refractive Index: 1.627
- PSA: 162.02
- LogP: 9.00500
Hexadecyl 3,5-dinitro-2-(7h-purin-6-ylsulfanyl)benzoate Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
59921-63-0 (Hexadecyl 3,5-dinitro-2-(7h-purin-6-ylsulfanyl)benzoate) Related Products
- 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)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
