对氰基肉桂酸
TL;DR: 对氰基肉桂酸 (CAS 18664-39-6) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氰基肉桂酸
3-(4-cyanophenyl)prop-2-enoic acid
Also Known As: 4-Cyanocinnamic acid, p-Cyanocinnamic acid, trans-4-Cyanocinnamic acid, zlchem 120, 3-(4-cyanophenyl)acrylic acid
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 18664-39-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)C#N |
| InChIKey | USVZQKYCNGNRBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氰基肉桂酸 (CAS 18664-39-6), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: 3-(4-cyanophenyl)prop-2-enoic acid.
Chemical Property Profile of 对氰基肉桂酸
Property Insights of 对氰基肉桂酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氰基肉桂酸. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 对氰基肉桂酸. Following Lipinski's Rule of Five, 对氰基肉桂酸 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 对氰基肉桂酸?
The CAS number of 对氰基肉桂酸 is 18664-39-6.
What is the molecular formula of 对氰基肉桂酸?
The molecular formula of 对氰基肉桂酸 is C10H7NO2.
What is the molecular weight of 对氰基肉桂酸?
The molecular weight of 对氰基肉桂酸 is 173.05 g/mol.
Where can I buy 对氰基肉桂酸?
You can request a quote for 对氰基肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氰基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 对氰基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.