5-Phenoxypentanenitrile
TL;DR: 5-Phenoxypentanenitrile (CAS 16728-57-7) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenoxypentanenitrile
Also Known As: 5-Phenoxypentanenitrile, 6-phenoxyhexanenitrile, 5-Phenoxypentanenitrile #, Pentanenitrile, 5-phenoxy-, J1.816.336E
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 16728-57-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCC#N |
| InChIKey | VGTBEYRZXSEIMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenoxypentanenitrile (CAS 16728-57-7), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 5-phenoxypentanenitrile.
Chemical Property Profile of 5-Phenoxypentanenitrile
Property Insights of 5-Phenoxypentanenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenoxypentanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 5-Phenoxypentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenoxypentanenitrile 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 5-Phenoxypentanenitrile?
The CAS number of 5-Phenoxypentanenitrile is 16728-57-7.
What is the molecular formula of 5-Phenoxypentanenitrile?
The molecular formula of 5-Phenoxypentanenitrile is C11H13NO.
What is the molecular weight of 5-Phenoxypentanenitrile?
The molecular weight of 5-Phenoxypentanenitrile is 175.10 g/mol.
Where can I buy 5-Phenoxypentanenitrile?
You can request a quote for 5-Phenoxypentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenoxypentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenoxypentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.