Methyl 2-chloropropionate
TL;DR: Methyl 2-chloropropionate (CAS 17639-93-9) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloropropanoate
Also Known As: Methyl 2-chloropropanoate, METHYL 2-CHLOROPROPIONATE, Mecpa, Propanoic acid, 2-chloro-, methyl ester, INDICIN
| Molecular Formula | C4H7ClO2 |
|---|---|
| Molecular Weight | 122.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.01346 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 17639-93-9 |
|---|---|
| SMILES | CC(C(=O)OC)Cl |
| InChIKey | JLEJCNOTNLZCHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chloropropionate (CAS 17639-93-9), with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol. IUPAC: methyl 2-chloropropanoate.
Chemical Property Profile of Methyl 2-chloropropionate
Property Insights of Methyl 2-chloropropionate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloropropionate has 0 hydrogen bond donor(s) and 2 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-chloropropionate?
The CAS number of Methyl 2-chloropropionate is 17639-93-9.
What is the molecular formula of Methyl 2-chloropropionate?
The molecular formula of Methyl 2-chloropropionate is C4H7ClO2.
What is the molecular weight of Methyl 2-chloropropionate?
The molecular weight of Methyl 2-chloropropionate is 122.01 g/mol.
Where can I buy Methyl 2-chloropropionate?
You can request a quote for Methyl 2-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.