Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate
TL;DR: Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate (CAS 864941-26-4) is a chemical compound with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate
Also Known As: methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate, methyl N-[2-(4-cyanobenzamido)thiophene-3-carbonyl]carbamate, F1358-0421, methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate
| Molecular Formula | C15H11N3O4S |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 2.36828 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.04703 |
| Heavy Atoms | 23 |
| Complexity | 789.79846 |
Chemical Identifiers
| CAS Number | 864941-26-4 |
|---|---|
| SMILES | COC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(C=C2)C#N |
Product Overview
Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate (CAS 864941-26-4), with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol. IUPAC: methyl N-[2-[(4-cyanobenzoyl)amino]thiophene-3-carbonyl]carbamate.
Chemical Property Profile of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate
Property Insights of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate
The XLogP value of 2.36828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate. Following Lipinski's Rule of Five, Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate has 2 hydrogen bond donor(s) and 6 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 Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate?
The CAS number of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate is 864941-26-4.
What is the molecular formula of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate?
The molecular formula of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate is C15H11N3O4S.
What is the molecular weight of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate?
The molecular weight of Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate is 329.05 g/mol.
Where can I buy Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate?
You can request a quote for Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-(4-cyanobenzamido)thiophene-3-carbonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.