N-(Chloroacetyl)-3-thiophen-2-ylalanine
TL;DR: N-(Chloroacetyl)-3-thiophen-2-ylalanine (CAS 67253-31-0) 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.
2-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
Also Known As: N-(Chloroacetyl)-3-thiophen-2-ylalanine, N-(Chloroacetyl)-3-(thiophen-2-yl)alanine, 2-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
| Molecular Formula | C9H10ClNO3S |
|---|---|
| Molecular Weight | 247.01 g/mol |
| LogP | 1.5 |
| 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 | 67253-31-0 |
|---|---|
| SMILES | C1=CSC(=C1)CC(C(=O)O)NC(=O)CCl |
| InChIKey | ZCMDSTRYHWAKCV-UHFFFAOYSA-N |
Product Overview
N-(Chloroacetyl)-3-thiophen-2-ylalanine (CAS 67253-31-0), with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol. IUPAC: 2-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid.
Chemical Property Profile of N-(Chloroacetyl)-3-thiophen-2-ylalanine
Property Insights of N-(Chloroacetyl)-3-thiophen-2-ylalanine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Chloroacetyl)-3-thiophen-2-ylalanine. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Chloroacetyl)-3-thiophen-2-ylalanine. Following Lipinski's Rule of Five, N-(Chloroacetyl)-3-thiophen-2-ylalanine 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 N-(Chloroacetyl)-3-thiophen-2-ylalanine?
The CAS number of N-(Chloroacetyl)-3-thiophen-2-ylalanine is 67253-31-0.
What is the molecular formula of N-(Chloroacetyl)-3-thiophen-2-ylalanine?
The molecular formula of N-(Chloroacetyl)-3-thiophen-2-ylalanine is C9H10ClNO3S.
What is the molecular weight of N-(Chloroacetyl)-3-thiophen-2-ylalanine?
The molecular weight of N-(Chloroacetyl)-3-thiophen-2-ylalanine is 247.01 g/mol.
Where can I buy N-(Chloroacetyl)-3-thiophen-2-ylalanine?
You can request a quote for N-(Chloroacetyl)-3-thiophen-2-ylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Chloroacetyl)-3-thiophen-2-ylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(Chloroacetyl)-3-thiophen-2-ylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.