3-(1,4-Cyclohexadienyl)acrylic acid
TL;DR: 3-(1,4-Cyclohexadienyl)acrylic acid (CAS 39044-60-5) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-cyclohexa-1,4-dien-1-ylprop-2-enoic acid
Also Known As: 3-(1,4-Cyclohexadienyl)acrylic acid, trans-3-(1,4-Cyclohexadienyl)acryclic acid, (E)-3-cyclohexa-1,4-dien-1-ylprop-2-enoic acid, trans-3-(1,4-cyclohexadienyl)acrylic acid, 2-Propenoic acid, 3-(cyclohexadienyl)-, sodium salt
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 1.9036 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 233.94728 |
Chemical Identifiers
| CAS Number | 39044-60-5 |
|---|---|
| SMILES | C1C=CCC(=C1)/C=C/C(=O)O |
Product Overview
3-(1,4-Cyclohexadienyl)acrylic acid (CAS 39044-60-5), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: (E)-3-cyclohexa-1,4-dien-1-ylprop-2-enoic acid.
Chemical Property Profile of 3-(1,4-Cyclohexadienyl)acrylic acid
Property Insights of 3-(1,4-Cyclohexadienyl)acrylic acid
The XLogP value of 1.9036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,4-Cyclohexadienyl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(1,4-Cyclohexadienyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,4-Cyclohexadienyl)acrylic acid has 1 hydrogen bond donor(s) and 1 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 3-(1,4-Cyclohexadienyl)acrylic acid?
The CAS number of 3-(1,4-Cyclohexadienyl)acrylic acid is 39044-60-5.
What is the molecular formula of 3-(1,4-Cyclohexadienyl)acrylic acid?
The molecular formula of 3-(1,4-Cyclohexadienyl)acrylic acid is C9H10O2.
What is the molecular weight of 3-(1,4-Cyclohexadienyl)acrylic acid?
The molecular weight of 3-(1,4-Cyclohexadienyl)acrylic acid is 150.07 g/mol.
Where can I buy 3-(1,4-Cyclohexadienyl)acrylic acid?
You can request a quote for 3-(1,4-Cyclohexadienyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,4-Cyclohexadienyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,4-Cyclohexadienyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.