(Z)-3-hydroxy-2-phenylbut-2-enenitrile
TL;DR: (Z)-3-hydroxy-2-phenylbut-2-enenitrile (CAS 81685-25-8) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-hydroxy-2-phenylbut-2-enenitrile
Also Known As: 3-hydroxy-2-phenyl-but-2-enenitrile, 3-Hydroxy-2-phenyl-trans-crotononitril, (Z)-3-hydroxy-2-phenylbut-2-enenitrile, (Z)-3-Hydroxy-2-phenyl-but-2-enenitrile
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.49918 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 328.60626 |
Chemical Identifiers
| CAS Number | 81685-25-8 |
|---|---|
| SMILES | C/C(=C(/C#N)\C1=CC=CC=C1)/O |
Product Overview
(Z)-3-hydroxy-2-phenylbut-2-enenitrile (CAS 81685-25-8), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: (Z)-3-hydroxy-2-phenylbut-2-enenitrile.
Chemical Property Profile of (Z)-3-hydroxy-2-phenylbut-2-enenitrile
Property Insights of (Z)-3-hydroxy-2-phenylbut-2-enenitrile
The XLogP value of 2.49918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-hydroxy-2-phenylbut-2-enenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, (Z)-3-hydroxy-2-phenylbut-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-hydroxy-2-phenylbut-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 (Z)-3-hydroxy-2-phenylbut-2-enenitrile?
The CAS number of (Z)-3-hydroxy-2-phenylbut-2-enenitrile is 81685-25-8.
What is the molecular formula of (Z)-3-hydroxy-2-phenylbut-2-enenitrile?
The molecular formula of (Z)-3-hydroxy-2-phenylbut-2-enenitrile is C10H9NO.
What is the molecular weight of (Z)-3-hydroxy-2-phenylbut-2-enenitrile?
The molecular weight of (Z)-3-hydroxy-2-phenylbut-2-enenitrile is 159.07 g/mol.
Where can I buy (Z)-3-hydroxy-2-phenylbut-2-enenitrile?
You can request a quote for (Z)-3-hydroxy-2-phenylbut-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-hydroxy-2-phenylbut-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-hydroxy-2-phenylbut-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.