Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester
TL;DR: Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester (CAS 696646-08-9) is a chemical compound with molecular formula C12H12N4O5S and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(thiophene-2-carbonyl)carbamate
Also Known As: Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester, A3465/0146951, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl (thiophen-2-ylcarbonyl)carbamate, 2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(thiophene-2-carbonyl)carbamate, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl (2-thienylcarbonyl)carbamate
| Molecular Formula | C12H12N4O5S |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 1.72782 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.05283 |
| Heavy Atoms | 22 |
| Complexity | 694.445 |
Chemical Identifiers
| CAS Number | 696646-08-9 |
|---|---|
| SMILES | CC1=CN=C(N1CCOC(=O)NC(=O)C2=CC=CS2)[N+](=O)[O-] |
Product Overview
Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester (CAS 696646-08-9), with molecular formula C12H12N4O5S and molecular weight 324.05 g/mol. IUPAC: 2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(thiophene-2-carbonyl)carbamate.
Chemical Property Profile of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester
Property Insights of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester
The XLogP value of 1.72782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester has 1 hydrogen bond donor(s) and 7 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 Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester?
The CAS number of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester is 696646-08-9.
What is the molecular formula of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester?
The molecular formula of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester is C12H12N4O5S.
What is the molecular weight of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester?
The molecular weight of Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester is 324.05 g/mol.
Where can I buy Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester?
You can request a quote for Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-thienylcarbonyl)-, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.