4-Benzyloxy-3-methoxy-benzonitrile
TL;DR: 4-Benzyloxy-3-methoxy-benzonitrile (CAS 52805-34-2) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-phenylmethoxybenzonitrile
Also Known As: 4-(benzyloxy)-3-methoxybenzonitrile, 4-Benzyloxy-3-methoxy-benzonitrile, 2-hydroxy-benzonitril, 3-methoxy-4-phenylmethoxybenzonitrile, 3-methoxy-4-benzyloxybenzonitrile
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.14588 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 558.4514 |
Chemical Identifiers
| CAS Number | 52805-34-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C#N)OCC2=CC=CC=C2 |
Product Overview
4-Benzyloxy-3-methoxy-benzonitrile (CAS 52805-34-2), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 3-methoxy-4-phenylmethoxybenzonitrile.
Chemical Property Profile of 4-Benzyloxy-3-methoxy-benzonitrile
Property Insights of 4-Benzyloxy-3-methoxy-benzonitrile
The XLogP value of 3.14588 indicates that 4-Benzyloxy-3-methoxy-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 4-Benzyloxy-3-methoxy-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxy-3-methoxy-benzonitrile has 0 hydrogen bond donor(s) and 3 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 4-Benzyloxy-3-methoxy-benzonitrile?
The CAS number of 4-Benzyloxy-3-methoxy-benzonitrile is 52805-34-2.
What is the molecular formula of 4-Benzyloxy-3-methoxy-benzonitrile?
The molecular formula of 4-Benzyloxy-3-methoxy-benzonitrile is C15H13NO2.
What is the molecular weight of 4-Benzyloxy-3-methoxy-benzonitrile?
The molecular weight of 4-Benzyloxy-3-methoxy-benzonitrile is 239.09 g/mol.
Where can I buy 4-Benzyloxy-3-methoxy-benzonitrile?
You can request a quote for 4-Benzyloxy-3-methoxy-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxy-3-methoxy-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-3-methoxy-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.