Α-氰基-4-羟基肉桂酸
TL;DR: Α-氰基-4-羟基肉桂酸 (CAS 28166-41-8) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-氰基-4-羟基肉桂酸
2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
Also Known As: alpha-cyano-4-hydroxycinnamic acid, alpha-CCA, alpha-Cyano, alpha-CHCA, alpha-Cyano-4-hydroxycinnamate
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 28166-41-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)O)O |
| InChIKey | AFVLVVWMAFSXCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-氰基-4-羟基肉桂酸 (CAS 28166-41-8), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: 2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid.
Chemical Property Profile of Α-氰基-4-羟基肉桂酸
Property Insights of Α-氰基-4-羟基肉桂酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-氰基-4-羟基肉桂酸. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Α-氰基-4-羟基肉桂酸. Following Lipinski's Rule of Five, Α-氰基-4-羟基肉桂酸 has 2 hydrogen bond donor(s) and 4 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-4-羟基肉桂酸?
The CAS number of Α-氰基-4-羟基肉桂酸 is 28166-41-8.
What is the molecular formula of Α-氰基-4-羟基肉桂酸?
The molecular formula of Α-氰基-4-羟基肉桂酸 is C10H7NO3.
What is the molecular weight of Α-氰基-4-羟基肉桂酸?
The molecular weight of Α-氰基-4-羟基肉桂酸 is 189.04 g/mol.
Where can I buy Α-氰基-4-羟基肉桂酸?
You can request a quote for Α-氰基-4-羟基肉桂酸 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-4-羟基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for Α-氰基-4-羟基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.