(3-苯甲酰-2-甲氧基苯基)乙腈
TL;DR: (3-苯甲酰-2-甲氧基苯基)乙腈 (CAS 22071-33-6) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-苯甲酰-2-甲氧基苯基)乙腈
2-(3-benzoyl-2-methoxyphenyl)acetonitrile
Also Known As: (3-Benzoyl-2-methoxyphenyl)acetonitrile, 2-(3-benzoyl-2-methoxyphenyl)acetonitrile, 3-Benzoyl-2-methoxybenzeneacetonitrile, Benzeneacetonitrile,3-benzoyl-2-methoxy-, 2-[3-(benzoyl)-2-methoxyphenyl]acetonitrile
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 22071-33-6 |
|---|---|
| SMILES | COC1=C(C=CC=C1C(=O)C2=CC=CC=C2)CC#N |
| InChIKey | MIJYFLXOJQTGHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-苯甲酰-2-甲氧基苯基)乙腈 (CAS 22071-33-6), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 2-(3-benzoyl-2-methoxyphenyl)acetonitrile.
Chemical Property Profile of (3-苯甲酰-2-甲氧基苯基)乙腈
Property Insights of (3-苯甲酰-2-甲氧基苯基)乙腈
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-苯甲酰-2-甲氧基苯基)乙腈. With a topological polar surface area (TPSA) of 50.1 Ų, (3-苯甲酰-2-甲氧基苯基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-苯甲酰-2-甲氧基苯基)乙腈 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-苯甲酰-2-甲氧基苯基)乙腈?
The CAS number of (3-苯甲酰-2-甲氧基苯基)乙腈 is 22071-33-6.
What is the molecular formula of (3-苯甲酰-2-甲氧基苯基)乙腈?
The molecular formula of (3-苯甲酰-2-甲氧基苯基)乙腈 is C16H13NO2.
What is the molecular weight of (3-苯甲酰-2-甲氧基苯基)乙腈?
The molecular weight of (3-苯甲酰-2-甲氧基苯基)乙腈 is 251.09 g/mol.
Where can I buy (3-苯甲酰-2-甲氧基苯基)乙腈?
You can request a quote for (3-苯甲酰-2-甲氧基苯基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-苯甲酰-2-甲氧基苯基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for (3-苯甲酰-2-甲氧基苯基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.