![Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate structure](/static/products/853/853891-95-9.png)
Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate
TL;DR: Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate (CAS 853891-95-9) 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 5-chloro-2-(3-thiophen-2-ylpropanoylamino)benzoate
Also Known As: methyl 5-chloro-2-(3-(2-thienyl)propanoylamino)benzoate, methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate, methyl 5-chloro-2-(3-thiophen-2-ylpropanoylamino)benzoate
| Molecular Formula | C15H14ClNO3S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 3.7594 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0383 |
| Heavy Atoms | 21 |
| Complexity | 640.3732 |
Chemical Identifiers
| CAS Number | 853891-95-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCC2=CC=CS2 |
Product Overview
Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate (CAS 853891-95-9), with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol. IUPAC: methyl 5-chloro-2-(3-thiophen-2-ylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate
Property Insights of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate
The XLogP value of 3.7594 indicates that Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate 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 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate?
The CAS number of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate is 853891-95-9.
What is the molecular formula of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate?
The molecular formula of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate is C15H14ClNO3S.
What is the molecular weight of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate?
The molecular weight of Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate is 323.04 g/mol.
Where can I buy Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate?
You can request a quote for Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.