methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate
TL;DR: methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate (CAS 7346-46-5) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate
Also Known As: methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 7346-46-5 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CC=CC=C1Cl)C#N |
| InChIKey | UINYMUPWCAHBKX-VIFPVBQESA-N |
Product Overview
methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate (CAS 7346-46-5), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate.
Chemical Property Profile of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate
Property Insights of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate. With a topological polar surface area (TPSA) of 50.1 Ų, methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate 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 (2S)-3-(2-chlorophenyl)-2-cyanopropanoate?
The CAS number of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate is 7346-46-5.
What is the molecular formula of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate?
The molecular formula of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate is C11H10ClNO2.
What is the molecular weight of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate?
The molecular weight of methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate is 223.04 g/mol.
Where can I buy methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate?
You can request a quote for methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.