3-(Benzyloxy)propionitrile
TL;DR: 3-(Benzyloxy)propionitrile (CAS 6328-48-9) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylmethoxypropanenitrile
Also Known As: 3-(benzyloxy)propanenitrile, Propanenitrile, 3-(phenylmethoxy)-, 3-(Benzyloxy)propionitrile, 3-Benzyloxypropionitrile, 3-phenylmethoxypropanenitrile
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 6328-48-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCCC#N |
| InChIKey | IOFHIWGGQITXMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzyloxy)propionitrile (CAS 6328-48-9), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 3-phenylmethoxypropanenitrile.
Chemical Property Profile of 3-(Benzyloxy)propionitrile
Property Insights of 3-(Benzyloxy)propionitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzyloxy)propionitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(Benzyloxy)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)propionitrile 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 3-(Benzyloxy)propionitrile?
The CAS number of 3-(Benzyloxy)propionitrile is 6328-48-9.
What is the molecular formula of 3-(Benzyloxy)propionitrile?
The molecular formula of 3-(Benzyloxy)propionitrile is C10H11NO.
What is the molecular weight of 3-(Benzyloxy)propionitrile?
The molecular weight of 3-(Benzyloxy)propionitrile is 161.08 g/mol.
Where can I buy 3-(Benzyloxy)propionitrile?
You can request a quote for 3-(Benzyloxy)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.