Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 447409-05-4) is a chemical compound with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate, BIM-0046242.P001, methyl 2-{[(3-chlorophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate, methyl 2-[(3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, F2590-1544
| Molecular Formula | C15H14ClNO3S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0383 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 447409-05-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)Cl)C |
| InChIKey | ICGVROFJIVIQMW-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 447409-05-4), with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol. IUPAC: methyl 2-[(3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.6 indicates that Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate is 447409-05-4.
What is the molecular formula of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate is C15H14ClNO3S.
What is the molecular weight of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate is 323.04 g/mol.
Where can I buy Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.