Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate
TL;DR: Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate (CAS 896304-91-9) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-[(4-cyanobenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
Also Known As: F2590-0440, methyl N-[2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl]carbamate, methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate, methyl N-[2-[(4-cyanobenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.98512 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 878.5333 |
Chemical Identifiers
| CAS Number | 896304-91-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)C2=CC=C(C=C2)C#N)C |
Product Overview
Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate (CAS 896304-91-9), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: methyl N-[2-[(4-cyanobenzoyl)amino]-4,5-dimethylthiophene-3-carbonyl]carbamate.
Chemical Property Profile of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate
Property Insights of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate
The XLogP value of 2.98512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate. Following Lipinski's Rule of Five, Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-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)-4,5-dimethylthiophene-3-carbonyl)carbamate?
The CAS number of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is 896304-91-9.
What is the molecular formula of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
The molecular formula of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is C17H15N3O4S.
What is the molecular weight of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
The molecular weight of Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate is 357.08 g/mol.
Where can I buy Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate?
You can request a quote for Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-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)-4,5-dimethylthiophene-3-carbonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-(4-cyanobenzamido)-4,5-dimethylthiophene-3-carbonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.