3-(3-Formylphenyl)benzonitrile
TL;DR: 3-(3-Formylphenyl)benzonitrile (CAS 400748-29-0) is a chemical compound with molecular formula C14H9NO and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-formylphenyl)benzonitrile
Also Known As: 3-(3-formylphenyl)benzonitrile, 3'-Formyl-biphenyl-3-carbonitrile, 3'-Formyl-[1,1'-biphenyl]-3-carbonitrile, 5-fluoro-2-iodobenzoic acid, 3'-formyl[1,1'-biphenyl]-3-carbonitrile
| Molecular Formula | C14H9NO |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 3.03778 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.06842 |
| Heavy Atoms | 16 |
| Complexity | 566.9432 |
Chemical Identifiers
| CAS Number | 400748-29-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)C=O |
Product Overview
3-(3-Formylphenyl)benzonitrile (CAS 400748-29-0), with molecular formula C14H9NO and molecular weight 207.07 g/mol. IUPAC: 3-(3-formylphenyl)benzonitrile.
Chemical Property Profile of 3-(3-Formylphenyl)benzonitrile
Property Insights of 3-(3-Formylphenyl)benzonitrile
The XLogP value of 3.03778 indicates that 3-(3-Formylphenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(3-Formylphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Formylphenyl)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-(3-Formylphenyl)benzonitrile?
The CAS number of 3-(3-Formylphenyl)benzonitrile is 400748-29-0.
What is the molecular formula of 3-(3-Formylphenyl)benzonitrile?
The molecular formula of 3-(3-Formylphenyl)benzonitrile is C14H9NO.
What is the molecular weight of 3-(3-Formylphenyl)benzonitrile?
The molecular weight of 3-(3-Formylphenyl)benzonitrile is 207.07 g/mol.
Where can I buy 3-(3-Formylphenyl)benzonitrile?
You can request a quote for 3-(3-Formylphenyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Formylphenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Formylphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.