Methyl cis-3-chloropropenoate
TL;DR: Methyl cis-3-chloropropenoate (CAS 5135-18-2) 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 (Z)-3-chloroprop-2-enoate
Also Known As: Methyl (Z)-3-chloroacrylate, Methyl cis-3-chloropropenoate, methyl (Z)-3-chloroprop-2-enoate, Methyl (2E)-3-chloroacrylate, Methyl (2Z)-3-chloro-2-propenoate
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 0.9119 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 87.69058 |
Chemical Identifiers
| CAS Number | 5135-18-2 |
|---|---|
| SMILES | COC(=O)/C=C\Cl |
Product Overview
Methyl cis-3-chloropropenoate (CAS 5135-18-2), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: methyl (Z)-3-chloroprop-2-enoate.
Chemical Property Profile of Methyl cis-3-chloropropenoate
Property Insights of Methyl cis-3-chloropropenoate
The XLogP value of 0.9119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cis-3-chloropropenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cis-3-chloropropenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cis-3-chloropropenoate 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 cis-3-chloropropenoate?
The CAS number of Methyl cis-3-chloropropenoate is 5135-18-2.
What is the molecular formula of Methyl cis-3-chloropropenoate?
The molecular formula of Methyl cis-3-chloropropenoate is C4H5ClO2.
What is the molecular weight of Methyl cis-3-chloropropenoate?
The molecular weight of Methyl cis-3-chloropropenoate is 120.00 g/mol.
Where can I buy Methyl cis-3-chloropropenoate?
You can request a quote for Methyl cis-3-chloropropenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cis-3-chloropropenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cis-3-chloropropenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.