Methyl E-2,3-dichloropropenoate
TL;DR: Methyl E-2,3-dichloropropenoate (CAS 3533-70-8) is a chemical compound with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2,3-dichloroprop-2-enoate
Also Known As: Methyl E-2,3-dichloropropenoate, Methyl trans-2,3-dichloropropenoate, methyl trans-2,3-dichloro-propenoate, methyl (E)-2,3-dichloroprop-2-enoate, (E)-2,3-Dichloroacrylic acid methyl ester
| Molecular Formula | C4H4Cl2O2 |
|---|---|
| Molecular Weight | 153.96 g/mol |
| LogP | 1.4784 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.95883 |
| Heavy Atoms | 8 |
| Complexity | 119.20672 |
Chemical Identifiers
| CAS Number | 3533-70-8 |
|---|---|
| SMILES | COC(=O)/C(=C\Cl)/Cl |
Product Overview
Methyl E-2,3-dichloropropenoate (CAS 3533-70-8), with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol. IUPAC: methyl (E)-2,3-dichloroprop-2-enoate.
Chemical Property Profile of Methyl E-2,3-dichloropropenoate
Property Insights of Methyl E-2,3-dichloropropenoate
The XLogP value of 1.4784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl E-2,3-dichloropropenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl E-2,3-dichloropropenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl E-2,3-dichloropropenoate 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 E-2,3-dichloropropenoate?
The CAS number of Methyl E-2,3-dichloropropenoate is 3533-70-8.
What is the molecular formula of Methyl E-2,3-dichloropropenoate?
The molecular formula of Methyl E-2,3-dichloropropenoate is C4H4Cl2O2.
What is the molecular weight of Methyl E-2,3-dichloropropenoate?
The molecular weight of Methyl E-2,3-dichloropropenoate is 153.96 g/mol.
Where can I buy Methyl E-2,3-dichloropropenoate?
You can request a quote for Methyl E-2,3-dichloropropenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl E-2,3-dichloropropenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl E-2,3-dichloropropenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.