Methyl 3-(2-chlorophenyl)prop-2-ynoate
TL;DR: Methyl 3-(2-chlorophenyl)prop-2-ynoate (CAS 7517-81-9) is a chemical compound with molecular formula C10H7ClO2 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chlorophenyl)prop-2-ynoate
Also Known As: methyl 3-(2-chlorophenyl)prop-2-ynoate, methyl 3-(2-chlorophenyl)propiolate, methyl 3-(2-chlorophenyl)-2-propynoate, methyl3-(2-chlorophenyl)propiolate, trans-cyclohexane-1,4-diisocyanate
| Molecular Formula | C10H7ClO2 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.8645 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.01346 |
| Heavy Atoms | 13 |
| Complexity | 374.0014 |
Chemical Identifiers
| CAS Number | 7517-81-9 |
|---|---|
| SMILES | COC(=O)C#CC1=CC=CC=C1Cl |
Product Overview
Methyl 3-(2-chlorophenyl)prop-2-ynoate (CAS 7517-81-9), with molecular formula C10H7ClO2 and molecular weight 194.01 g/mol. IUPAC: methyl 3-(2-chlorophenyl)prop-2-ynoate.
Chemical Property Profile of Methyl 3-(2-chlorophenyl)prop-2-ynoate
Property Insights of Methyl 3-(2-chlorophenyl)prop-2-ynoate
The XLogP value of 1.8645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-chlorophenyl)prop-2-ynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(2-chlorophenyl)prop-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2-chlorophenyl)prop-2-ynoate 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-(2-chlorophenyl)prop-2-ynoate?
The CAS number of Methyl 3-(2-chlorophenyl)prop-2-ynoate is 7517-81-9.
What is the molecular formula of Methyl 3-(2-chlorophenyl)prop-2-ynoate?
The molecular formula of Methyl 3-(2-chlorophenyl)prop-2-ynoate is C10H7ClO2.
What is the molecular weight of Methyl 3-(2-chlorophenyl)prop-2-ynoate?
The molecular weight of Methyl 3-(2-chlorophenyl)prop-2-ynoate is 194.01 g/mol.
Where can I buy Methyl 3-(2-chlorophenyl)prop-2-ynoate?
You can request a quote for Methyl 3-(2-chlorophenyl)prop-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-chlorophenyl)prop-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-chlorophenyl)prop-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.