(2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile
TL;DR: (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile (CAS 53283-56-0) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile
Also Known As: ZERO/005863, (2Z)-2-(4-Chlorophenyl)-3-hydroxyprop-2-ene, (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile, (Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.76248 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 334.54132 |
Chemical Identifiers
| CAS Number | 53283-56-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C(=C/O)/C#N)Cl |
Product Overview
(2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile (CAS 53283-56-0), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile
Property Insights of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile
The XLogP value of 2.76248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile has 1 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 (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile?
The CAS number of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile is 53283-56-0.
What is the molecular formula of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile?
The molecular formula of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile is C9H6ClNO.
What is the molecular weight of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile?
The molecular weight of (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile is 179.01 g/mol.
Where can I buy (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile?
You can request a quote for (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(4-chlorophenyl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.