methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate
TL;DR: methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate (CAS 32046-42-7) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-carbonochloridoyl-3-phenylprop-2-enoate
Also Known As: methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate, methyl 2-carbonochloridoyl-3-phenylprop-2-enoate, 2-(Chloroformyl)-3-phenylpropenoic acid methyl ester, Cinnamic acid, .alpha.-(chloroformyl)-, methyl ester
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 32046-42-7 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CC=C1)C(=O)Cl |
| InChIKey | YQWFLMIHYGAKCZ-UHFFFAOYSA-N |
Product Overview
methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate (CAS 32046-42-7), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: methyl 2-carbonochloridoyl-3-phenylprop-2-enoate.
Chemical Property Profile of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate
Property Insights of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 3 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-(chlorocarbonyl)-3-phenylprop-2-enoate?
The CAS number of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate is 32046-42-7.
What is the molecular formula of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate?
The molecular formula of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate is C11H9ClO3.
What is the molecular weight of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate?
The molecular weight of methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate is 224.02 g/mol.
Where can I buy methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate?
You can request a quote for methyl 2-(chlorocarbonyl)-3-phenylprop-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 2-(chlorocarbonyl)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(chlorocarbonyl)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.