2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide
TL;DR: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide (CAS 94772-01-7) is a chemical compound with molecular formula C18H17ClN8O5S and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-nitrophenyl)-3-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]thiourea
Also Known As: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide, 4-(2-Chloro-4-nitrophenyl)-1-(5-(3,4-dimethoxyphenyl)tetrazol-2-yl-acetyl)thiosemicarbazide, 1-(2-chloro-4-nitrophenyl)-3-[[2-[5-(3,4-dimethoxyphenyl)tet, 1-(2-chloro-4-nitrophenyl)-3-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]thiourea, N-(2-Chloro-4-nitrophenyl)-2-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetyl}hydrazine-1-carbothioamide
| Molecular Formula | C18H17ClN8O5S |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | 1.9367 |
| Topological Polar Surface Area | 158.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.07312 |
| Heavy Atoms | 33 |
| Complexity | 1204.3281 |
Chemical Identifiers
| CAS Number | 94772-01-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC |
Product Overview
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide (CAS 94772-01-7), with molecular formula C18H17ClN8O5S and molecular weight 492.07 g/mol. IUPAC: 1-(2-chloro-4-nitrophenyl)-3-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]thiourea.
Chemical Property Profile of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide
Property Insights of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide
The XLogP value of 1.9367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide. The TPSA of 158.36 Ų indicates high polarity, suggesting 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide?
The CAS number of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide is 94772-01-7.
What is the molecular formula of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide?
The molecular formula of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide is C18H17ClN8O5S.
What is the molecular weight of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide?
The molecular weight of 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide is 492.07 g/mol.
Where can I buy 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide?
You can request a quote for 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.