Benzonitrile, 3-(benzoyloxy)-
TL;DR: Benzonitrile, 3-(benzoyloxy)- (CAS 16513-76-1) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyanophenyl) benzoate
Also Known As: (3-cyanophenyl) benzoate, Benzonitrile, 3-(benzoyloxy)-, 3-CYANOPHENYL BENZOATE
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.77748 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 570.2761 |
Chemical Identifiers
| CAS Number | 16513-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C#N |
Product Overview
Benzonitrile, 3-(benzoyloxy)- (CAS 16513-76-1), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: (3-cyanophenyl) benzoate.
Chemical Property Profile of Benzonitrile, 3-(benzoyloxy)-
Property Insights of Benzonitrile, 3-(benzoyloxy)-
The XLogP value of 2.77748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-(benzoyloxy)-. With a topological polar surface area (TPSA) of 50.09 Ų, Benzonitrile, 3-(benzoyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3-(benzoyloxy)- 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 Benzonitrile, 3-(benzoyloxy)-?
The CAS number of Benzonitrile, 3-(benzoyloxy)- is 16513-76-1.
What is the molecular formula of Benzonitrile, 3-(benzoyloxy)-?
The molecular formula of Benzonitrile, 3-(benzoyloxy)- is C14H9NO2.
What is the molecular weight of Benzonitrile, 3-(benzoyloxy)-?
The molecular weight of Benzonitrile, 3-(benzoyloxy)- is 223.06 g/mol.
Where can I buy Benzonitrile, 3-(benzoyloxy)-?
You can request a quote for Benzonitrile, 3-(benzoyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-(benzoyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-(benzoyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.