![2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile structure](/static/products/4432/443291-77-8.webp)
2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile
TL;DR: 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile (CAS 443291-77-8) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile
Also Known As: 2-[(5-bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile, Benzonitrile, 2-[(5-bromo-4-formyl-2-methoxyphenoxy)methyl]-, 2-((5-Bromo-4-formyl-2-methoxyphenoxy)methyl)benzonitrile
| Molecular Formula | C16H12BrNO3 |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | 3.72088 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.00006 |
| Heavy Atoms | 21 |
| Complexity | 707.1537 |
Chemical Identifiers
| CAS Number | 443291-77-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=O)Br)OCC2=CC=CC=C2C#N |
Product Overview
2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile (CAS 443291-77-8), with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol. IUPAC: 2-[(5-bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile.
Chemical Property Profile of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile
Property Insights of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile
The XLogP value of 3.72088 indicates that 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile?
The CAS number of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile is 443291-77-8.
What is the molecular formula of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile?
The molecular formula of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile is C16H12BrNO3.
What is the molecular weight of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile?
The molecular weight of 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile is 345.00 g/mol.
Where can I buy 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile?
You can request a quote for 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Bromo-4-formyl-2-methoxyphenoxy)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.