2,3-Hexadienoic acid, 4-phenyl-, methyl ester
TL;DR: 2,3-Hexadienoic acid, 4-phenyl-, methyl ester (CAS 57585-10-1) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-phenylhexa-2,3-dienoate
Also Known As: methyl 4-phenylhexa-2,3-dienoate, 2,3-hexadienoic acid, 4-phenyl-, methyl ester, 4-Phenyl-2,3-hexadienoic acid methyl ester, 2,3-HEXADIENOIC ACID,4-PHENYL,METHYL ESTER, J1.619.067E
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 57585-10-1 |
|---|---|
| SMILES | CCC(=C=CC(=O)OC)C1=CC=CC=C1 |
| InChIKey | QTLQDIQQRPNUQL-UHFFFAOYSA-N |
Product Overview
2,3-Hexadienoic acid, 4-phenyl-, methyl ester (CAS 57585-10-1), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: methyl 4-phenylhexa-2,3-dienoate.
Chemical Property Profile of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester
Property Insights of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Hexadienoic acid, 4-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Hexadienoic acid, 4-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Hexadienoic acid, 4-phenyl-, methyl ester has 0 hydrogen bond donor(s) and 2 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 2,3-Hexadienoic acid, 4-phenyl-, methyl ester?
The CAS number of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester is 57585-10-1.
What is the molecular formula of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester?
The molecular formula of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester is C13H14O2.
What is the molecular weight of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester?
The molecular weight of 2,3-Hexadienoic acid, 4-phenyl-, methyl ester is 202.10 g/mol.
Where can I buy 2,3-Hexadienoic acid, 4-phenyl-, methyl ester?
You can request a quote for 2,3-Hexadienoic acid, 4-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Hexadienoic acid, 4-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Hexadienoic acid, 4-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.