2-氰基-3-苯基丙酸
TL;DR: 2-氰基-3-苯基丙酸 (CAS 58052-51-0) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-3-苯基丙酸
2-cyano-3-phenylpropanoic acid
Also Known As: 2-Cyano-3-phenylpropionic acid, 2-CYANO-3-PHENYLPROPANOIC ACID, 2,6-Difluorotoluene, phenylmethylcyanoacetic acid, 2-Cyano-3-phenylpropanoicacid
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 58052-51-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C#N)C(=O)O |
| InChIKey | VKFDROJPHCZDTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基-3-苯基丙酸 (CAS 58052-51-0), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 2-cyano-3-phenylpropanoic acid.
Chemical Property Profile of 2-氰基-3-苯基丙酸
Property Insights of 2-氰基-3-苯基丙酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基-3-苯基丙酸. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-3-苯基丙酸. Following Lipinski's Rule of Five, 2-氰基-3-苯基丙酸 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 2-氰基-3-苯基丙酸?
The CAS number of 2-氰基-3-苯基丙酸 is 58052-51-0.
What is the molecular formula of 2-氰基-3-苯基丙酸?
The molecular formula of 2-氰基-3-苯基丙酸 is C10H9NO2.
What is the molecular weight of 2-氰基-3-苯基丙酸?
The molecular weight of 2-氰基-3-苯基丙酸 is 175.06 g/mol.
Where can I buy 2-氰基-3-苯基丙酸?
You can request a quote for 2-氰基-3-苯基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基-3-苯基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-3-苯基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.