3-(3-Hydroxyprop-1-ynyl)benzonitrile
TL;DR: 3-(3-Hydroxyprop-1-ynyl)benzonitrile (CAS 170859-72-0) is a chemical compound with molecular formula C10H7NO and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxyprop-1-ynyl)benzonitrile
Also Known As: 3-(3-hydroxyprop-1-ynyl)benzonitrile, 3-(3-hydroxyprop-1-yn-1-yl)benzonitrile, 3-(3-Hydroxy-prop-1-ynyl)-benzonitrile, NEOHESPERIDOSEHEPTAACETATE, 3-(3-hydroxy-1-propynyl)benzonitrile
| Molecular Formula | C10H7NO |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 0.90208 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.05276 |
| Heavy Atoms | 12 |
| Complexity | 365.40546 |
Chemical Identifiers
| CAS Number | 170859-72-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C#N)C#CCO |
Product Overview
3-(3-Hydroxyprop-1-ynyl)benzonitrile (CAS 170859-72-0), with molecular formula C10H7NO and molecular weight 157.05 g/mol. IUPAC: 3-(3-hydroxyprop-1-ynyl)benzonitrile.
Chemical Property Profile of 3-(3-Hydroxyprop-1-ynyl)benzonitrile
Property Insights of 3-(3-Hydroxyprop-1-ynyl)benzonitrile
The XLogP value of 0.90208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Hydroxyprop-1-ynyl)benzonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3-(3-Hydroxyprop-1-ynyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Hydroxyprop-1-ynyl)benzonitrile 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-(3-Hydroxyprop-1-ynyl)benzonitrile?
The CAS number of 3-(3-Hydroxyprop-1-ynyl)benzonitrile is 170859-72-0.
What is the molecular formula of 3-(3-Hydroxyprop-1-ynyl)benzonitrile?
The molecular formula of 3-(3-Hydroxyprop-1-ynyl)benzonitrile is C10H7NO.
What is the molecular weight of 3-(3-Hydroxyprop-1-ynyl)benzonitrile?
The molecular weight of 3-(3-Hydroxyprop-1-ynyl)benzonitrile is 157.05 g/mol.
Where can I buy 3-(3-Hydroxyprop-1-ynyl)benzonitrile?
You can request a quote for 3-(3-Hydroxyprop-1-ynyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Hydroxyprop-1-ynyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Hydroxyprop-1-ynyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.