3-乙烯基苯甲酸
TL;DR: 3-乙烯基苯甲酸 (CAS 28447-20-3) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙烯基苯甲酸
3-ethenylbenzoic acid
Also Known As: 3-Vinylbenzoic acid, 3-ethenylbenzoic Acid, null, 3-Ethenyl-benzoic acid, 3-VINYLBENZOICACID
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 2.0278 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 289.36914 |
Chemical Identifiers
| CAS Number | 28447-20-3 |
|---|---|
| SMILES | C=CC1=CC(=CC=C1)C(=O)O |
Product Overview
3-乙烯基苯甲酸 (CAS 28447-20-3), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 3-ethenylbenzoic acid.
Chemical Property Profile of 3-乙烯基苯甲酸
Property Insights of 3-乙烯基苯甲酸
The XLogP value of 2.0278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙烯基苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-乙烯基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙烯基苯甲酸 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-乙烯基苯甲酸?
The CAS number of 3-乙烯基苯甲酸 is 28447-20-3.
What is the molecular formula of 3-乙烯基苯甲酸?
The molecular formula of 3-乙烯基苯甲酸 is C9H8O2.
What is the molecular weight of 3-乙烯基苯甲酸?
The molecular weight of 3-乙烯基苯甲酸 is 148.05 g/mol.
Where can I buy 3-乙烯基苯甲酸?
You can request a quote for 3-乙烯基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙烯基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙烯基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.