![Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate structure](/static/products/866/866144-58-3.png)
Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate
TL;DR: Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate (CAS 866144-58-3) is a chemical compound with molecular formula C12H13ClFNO3 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate
Also Known As: Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate, methyl 3-(2-chloroacetamido)-3-(3-fluorophenyl)propanoate, 9T-0065, methyl3-(2-chloroacetamido)-3-(3-fluorophenyl)propanoate
| Molecular Formula | C12H13ClFNO3 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.7849 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.0568 |
| Heavy Atoms | 18 |
| Complexity | 421.08563 |
Chemical Identifiers
| CAS Number | 866144-58-3 |
|---|---|
| SMILES | COC(=O)CC(C1=CC(=CC=C1)F)NC(=O)CCl |
Product Overview
Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate (CAS 866144-58-3), with molecular formula C12H13ClFNO3 and molecular weight 273.06 g/mol. IUPAC: methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate.
Chemical Property Profile of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate
Property Insights of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate
The XLogP value of 1.7849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate has 1 hydrogen bond donor(s) and 3 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 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate?
The CAS number of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate is 866144-58-3.
What is the molecular formula of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate?
The molecular formula of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate is C12H13ClFNO3.
What is the molecular weight of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate?
The molecular weight of Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate is 273.06 g/mol.
Where can I buy Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate?
You can request a quote for Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-chloroacetyl)amino]-3-(3-fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.