3-(Benzyloxy)-4-methoxybenzonitrile
TL;DR: 3-(Benzyloxy)-4-methoxybenzonitrile (CAS 1699-39-4) 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.
4-methoxy-3-phenylmethoxybenzonitrile
Also Known As: 3-(Benzyloxy)-4-methoxybenzonitrile, 4-methoxy-3-phenylmethoxybenzonitrile, 3-benzyloxy-4-methoxybenzonitrile, 3-benzyloxy-4-methoxy-benzonitrile, 3-benzyloxy-4-methoxybenzyl nitrile
| 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 | 1699-39-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#N)OCC2=CC=CC=C2 |
Product Overview
3-(Benzyloxy)-4-methoxybenzonitrile (CAS 1699-39-4), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 4-methoxy-3-phenylmethoxybenzonitrile.
Chemical Property Profile of 3-(Benzyloxy)-4-methoxybenzonitrile
Property Insights of 3-(Benzyloxy)-4-methoxybenzonitrile
The XLogP value of 3.14588 indicates that 3-(Benzyloxy)-4-methoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-(Benzyloxy)-4-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)-4-methoxybenzonitrile 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 3-(Benzyloxy)-4-methoxybenzonitrile?
The CAS number of 3-(Benzyloxy)-4-methoxybenzonitrile is 1699-39-4.
What is the molecular formula of 3-(Benzyloxy)-4-methoxybenzonitrile?
The molecular formula of 3-(Benzyloxy)-4-methoxybenzonitrile is C15H13NO2.
What is the molecular weight of 3-(Benzyloxy)-4-methoxybenzonitrile?
The molecular weight of 3-(Benzyloxy)-4-methoxybenzonitrile is 239.09 g/mol.
Where can I buy 3-(Benzyloxy)-4-methoxybenzonitrile?
You can request a quote for 3-(Benzyloxy)-4-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)-4-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)-4-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.