Methyl 3-chloroprop-2-enoate
TL;DR: Methyl 3-chloroprop-2-enoate (CAS 34937-72-9) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloroprop-2-enoate
Also Known As: Methyl trans-3-chloropropenoate, trans-Methyl 3-chloro-2-propenoate, METHYL 3-CHLOROPROP-2-ENOATE, 2-Propenoic acid, 3-chloro-, methyl ester, METHYL (2Z)-3-CHLOROPROP-2-ENOATE
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 34937-72-9 |
|---|---|
| SMILES | COC(=O)C=CCl |
| InChIKey | ZLDNFLVIPPOXQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chloroprop-2-enoate (CAS 34937-72-9), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: methyl 3-chloroprop-2-enoate.
Chemical Property Profile of Methyl 3-chloroprop-2-enoate
Property Insights of Methyl 3-chloroprop-2-enoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloroprop-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-chloroprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloroprop-2-enoate 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-chloroprop-2-enoate?
The CAS number of Methyl 3-chloroprop-2-enoate is 34937-72-9.
What is the molecular formula of Methyl 3-chloroprop-2-enoate?
The molecular formula of Methyl 3-chloroprop-2-enoate is C4H5ClO2.
What is the molecular weight of Methyl 3-chloroprop-2-enoate?
The molecular weight of Methyl 3-chloroprop-2-enoate is 120.00 g/mol.
Where can I buy Methyl 3-chloroprop-2-enoate?
You can request a quote for Methyl 3-chloroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.