Methyl 3-chloropropionate
TL;DR: Methyl 3-chloropropionate (CAS 6001-87-2) 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 3-chloropropanoate
Also Known As: Methyl 3-chloropropanoate, Methyl 3-chloropropionate, 3-Chloropropionic acid methyl ester, Propanoic acid, 3-chloro-, methyl ester, USAF DO-7
| Molecular Formula | C4H7ClO2 |
|---|---|
| Molecular Weight | 122.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.01346 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 6001-87-2 |
|---|---|
| SMILES | COC(=O)CCCl |
| InChIKey | GZGJIACHBCQSPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chloropropionate (CAS 6001-87-2), with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol. IUPAC: methyl 3-chloropropanoate.
Chemical Property Profile of Methyl 3-chloropropionate
Property Insights of Methyl 3-chloropropionate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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 3-chloropropionate?
The CAS number of Methyl 3-chloropropionate is 6001-87-2.
What is the molecular formula of Methyl 3-chloropropionate?
The molecular formula of Methyl 3-chloropropionate is C4H7ClO2.
What is the molecular weight of Methyl 3-chloropropionate?
The molecular weight of Methyl 3-chloropropionate is 122.01 g/mol.
Where can I buy Methyl 3-chloropropionate?
You can request a quote for Methyl 3-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.