3-Hydroxypentanenitrile
TL;DR: 3-Hydroxypentanenitrile (CAS 198561-27-2) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypentanenitrile
Also Known As: 3-hydroxypentanenitrile, Pentanenitrile, 3-hydroxy-, 3-hydroxyvaleronitrile, 3-hydroxy-valeronitrile, Pentanenitrile,3-hydroxy
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.67098 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 74.639565 |
Chemical Identifiers
| CAS Number | 198561-27-2 |
|---|---|
| SMILES | CCC(CC#N)O |
Product Overview
3-Hydroxypentanenitrile (CAS 198561-27-2), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 3-hydroxypentanenitrile.
Chemical Property Profile of 3-Hydroxypentanenitrile
Property Insights of 3-Hydroxypentanenitrile
The XLogP value of 0.67098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxypentanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3-Hydroxypentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxypentanenitrile 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 3-Hydroxypentanenitrile?
The CAS number of 3-Hydroxypentanenitrile is 198561-27-2.
What is the molecular formula of 3-Hydroxypentanenitrile?
The molecular formula of 3-Hydroxypentanenitrile is C5H9NO.
What is the molecular weight of 3-Hydroxypentanenitrile?
The molecular weight of 3-Hydroxypentanenitrile is 99.07 g/mol.
Where can I buy 3-Hydroxypentanenitrile?
You can request a quote for 3-Hydroxypentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.