2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
TL;DR: 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate (CAS 372184-44-6) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Also Known As: (Z)-2-chloroethyl 2-cyano-3-(4-methoxyphenyl)acrylate, 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate, 2-chloroethyl (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
| Molecular Formula | C13H12ClNO3 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 2.38418 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.05057 |
| Heavy Atoms | 18 |
| Complexity | 474.00488 |
Chemical Identifiers
| CAS Number | 372184-44-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(/C#N)\C(=O)OCCCl |
Product Overview
2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate (CAS 372184-44-6), with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol. IUPAC: 2-chloroethyl (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Property Insights of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
The XLogP value of 2.38418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 59.32 Ų, 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate has 0 hydrogen bond donor(s) and 4 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 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate?
The CAS number of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate is 372184-44-6.
What is the molecular formula of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate?
The molecular formula of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate is C13H12ClNO3.
What is the molecular weight of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate?
The molecular weight of 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate is 265.05 g/mol.
Where can I buy 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate?
You can request a quote for 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloroethyl (2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.