3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile
TL;DR: 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile (CAS 691394-05-5) is a chemical compound with molecular formula C11H10ClNO and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-3-(4-ethoxyphenyl)prop-2-enenitrile
Also Known As: 3-chloro-3-(4-ethoxyphenyl)prop-2-enenitrile, 2-Propenenitrile, 3-chloro-3-(4-ethoxyphenyl)-, 3-CHLORO-3-(4-ETHOXYPHENYL)ACRYLONITRILE
| Molecular Formula | C11H10ClNO |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 3.18858 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.04509 |
| Heavy Atoms | 14 |
| Complexity | 361.86908 |
Chemical Identifiers
| CAS Number | 691394-05-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=CC#N)Cl |
Product Overview
3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile (CAS 691394-05-5), with molecular formula C11H10ClNO and molecular weight 207.05 g/mol. IUPAC: 3-chloro-3-(4-ethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile
Property Insights of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile
The XLogP value of 3.18858 indicates that 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile 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 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile?
The CAS number of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile is 691394-05-5.
What is the molecular formula of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile?
The molecular formula of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile is C11H10ClNO.
What is the molecular weight of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile?
The molecular weight of 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile is 207.05 g/mol.
Where can I buy 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile?
You can request a quote for 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-3-(4-ethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.