(Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile
TL;DR: (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile (CAS 57466-68-9) is a chemical compound with molecular formula C10H8ClNO and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-chloro-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile, HknH`ItHcHhhddbaVdHLhABH, 3-chloro-3-(4-methoxyphenyl)acrylonitrile, 3-chloro-3-(4-methoxyphenyl)prop-2-enenitrile, 3-CHLORO-3- ACRYLONITRILE
| Molecular Formula | C10H8ClNO |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.02943 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 57466-68-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C(=C/C#N)/Cl |
| InChIKey | PRZFNAAMKVRGRG-POHAHGRESA-N |
Product Overview
(Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile (CAS 57466-68-9), with molecular formula C10H8ClNO and molecular weight 193.03 g/mol. IUPAC: (Z)-3-chloro-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile
Property Insights of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile 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 (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile?
The CAS number of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile is 57466-68-9.
What is the molecular formula of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile?
The molecular formula of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile is C10H8ClNO.
What is the molecular weight of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile?
The molecular weight of (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile is 193.03 g/mol.
Where can I buy (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile?
You can request a quote for (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-Chloro-3-(4-methoxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.