3-Bromo-4-(phenylmethoxy)-benzonitrile
TL;DR: 3-Bromo-4-(phenylmethoxy)-benzonitrile (CAS 317358-76-2) is a chemical compound with molecular formula C14H10BrNO and molecular weight 286.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-phenylmethoxybenzonitrile
Also Known As: 3-Bromo-4-(phenylmethoxy)-benzonitrile, 4-(BENZYLOXY)-3-BROMOBENZONITRILE, 4-benzyloxy-3-bromobenzonitrile, 3-bromo-4-phenylmethoxybenzonitrile, 4-benzyloxy-3-bromo-benzonitrile
| Molecular Formula | C14H10BrNO |
|---|---|
| Molecular Weight | 286.99 g/mol |
| LogP | 3.89978 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.99457 |
| Heavy Atoms | 17 |
| Complexity | 545.8938 |
Chemical Identifiers
| CAS Number | 317358-76-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)Br |
Product Overview
3-Bromo-4-(phenylmethoxy)-benzonitrile (CAS 317358-76-2), with molecular formula C14H10BrNO and molecular weight 286.99 g/mol. IUPAC: 3-bromo-4-phenylmethoxybenzonitrile.
Chemical Property Profile of 3-Bromo-4-(phenylmethoxy)-benzonitrile
Property Insights of 3-Bromo-4-(phenylmethoxy)-benzonitrile
The XLogP value of 3.89978 indicates that 3-Bromo-4-(phenylmethoxy)-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Bromo-4-(phenylmethoxy)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(phenylmethoxy)-benzonitrile 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-Bromo-4-(phenylmethoxy)-benzonitrile?
The CAS number of 3-Bromo-4-(phenylmethoxy)-benzonitrile is 317358-76-2.
What is the molecular formula of 3-Bromo-4-(phenylmethoxy)-benzonitrile?
The molecular formula of 3-Bromo-4-(phenylmethoxy)-benzonitrile is C14H10BrNO.
What is the molecular weight of 3-Bromo-4-(phenylmethoxy)-benzonitrile?
The molecular weight of 3-Bromo-4-(phenylmethoxy)-benzonitrile is 286.99 g/mol.
Where can I buy 3-Bromo-4-(phenylmethoxy)-benzonitrile?
You can request a quote for 3-Bromo-4-(phenylmethoxy)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-(phenylmethoxy)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(phenylmethoxy)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.