2-氰基肉桂酸
TL;DR: 2-氰基肉桂酸 (CAS 61612-37-1) 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.
2-氰基肉桂酸
(E)-3-(2-cyanophenyl)prop-2-enoic acid
Also Known As: 2-Cyanocinnamic acid, 3-(2-cyanophenyl)acrylic acid, 2-cyano-cinnamic acid, o-Cyan-zimtsaeure, (E)-3-(2-CYANOPHENYL)ACRYLIC ACID
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.6 |
| 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 | 261.0 |
Chemical Identifiers
| CAS Number | 61612-37-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)O)C#N |
| InChIKey | HQVOPXGNHGTKOD-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基肉桂酸 (CAS 61612-37-1), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: (E)-3-(2-cyanophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-氰基肉桂酸
Property Insights of 2-氰基肉桂酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基肉桂酸. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基肉桂酸. Following Lipinski's Rule of Five, 2-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 2-氰基肉桂酸?
The CAS number of 2-氰基肉桂酸 is 61612-37-1.
What is the molecular formula of 2-氰基肉桂酸?
The molecular formula of 2-氰基肉桂酸 is C10H7NO2.
What is the molecular weight of 2-氰基肉桂酸?
The molecular weight of 2-氰基肉桂酸 is 173.05 g/mol.
Where can I buy 2-氰基肉桂酸?
You can request a quote for 2-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 2-氰基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.