![3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid structure](/static/products/6720/67206-29-5.webp)
3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
TL;DR: 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid (CAS 67206-29-5) is a chemical compound with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
Also Known As: 4'-bromo-4-methoxy-deoxybenzoin, 3-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid, rac-n-chloroacetyl-3-amino-3-(2-thienyl)propionic acid, 3-[(2-chloroacetyl)amino]-3-thiophen-2-yl-propanoic acid, 3-(2-CHLOROACETAMIDO)-3-(THIOPHEN-2-YL)PROPANOIC ACID
| Molecular Formula | C9H10ClNO3S |
|---|---|
| Molecular Weight | 247.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.00699 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 67206-29-5 |
|---|---|
| SMILES | C1=CSC(=C1)C(CC(=O)O)NC(=O)CCl |
| InChIKey | LBWWWMBGRDDZMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid (CAS 67206-29-5), with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol. IUPAC: 3-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid.
Chemical Property Profile of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
Property Insights of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid. Following Lipinski's Rule of Five, 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid has 2 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 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid?
The CAS number of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid is 67206-29-5.
What is the molecular formula of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid?
The molecular formula of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid is C9H10ClNO3S.
What is the molecular weight of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid?
The molecular weight of 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid is 247.01 g/mol.
Where can I buy 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid?
You can request a quote for 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.