α-氰基苯乙酸
TL;DR: α-氰基苯乙酸 (CAS 14025-79-7) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-氰基苯乙酸
2-cyano-2-phenylacetic acid
Also Known As: 2-Cyano-2-phenylacetic acid, Cyanophenylacetic acid, Phenylcyanoacetic acid, alpha-Cyanobenzeneacetic acid, Acetic acid, cyanophenyl-
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 14025-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C(=O)O |
| InChIKey | DKFPBXQCCCIWLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氰基苯乙酸 (CAS 14025-79-7), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-cyano-2-phenylacetic acid.
Chemical Property Profile of α-氰基苯乙酸
Property Insights of α-氰基苯乙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-氰基苯乙酸. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for α-氰基苯乙酸. Following Lipinski's Rule of Five, α-氰基苯乙酸 has 1 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 α-氰基苯乙酸?
The CAS number of α-氰基苯乙酸 is 14025-79-7.
What is the molecular formula of α-氰基苯乙酸?
The molecular formula of α-氰基苯乙酸 is C9H7NO2.
What is the molecular weight of α-氰基苯乙酸?
The molecular weight of α-氰基苯乙酸 is 161.05 g/mol.
Where can I buy α-氰基苯乙酸?
You can request a quote for α-氰基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氰基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for α-氰基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.