4-乙烯基苯甲酸
TL;DR: 4-乙烯基苯甲酸 (CAS 1075-49-6) 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.
4-乙烯基苯甲酸
4-ethenylbenzoic acid
Also Known As: 4-Vinylbenzoic acid, p-Vinylbenzoic acid, 4-ETHENYLBENZOIC ACID, 4-Carboxystyrene, p-carboxystyrene
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 1075-49-6 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)C(=O)O |
| InChIKey | IRQWEODKXLDORP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙烯基苯甲酸 (CAS 1075-49-6), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 4-ethenylbenzoic acid.
Chemical Property Profile of 4-乙烯基苯甲酸
Property Insights of 4-乙烯基苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙烯基苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-乙烯基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙烯基苯甲酸 has 1 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 4-乙烯基苯甲酸?
The CAS number of 4-乙烯基苯甲酸 is 1075-49-6.
What is the molecular formula of 4-乙烯基苯甲酸?
The molecular formula of 4-乙烯基苯甲酸 is C9H8O2.
What is the molecular weight of 4-乙烯基苯甲酸?
The molecular weight of 4-乙烯基苯甲酸 is 148.05 g/mol.
Where can I buy 4-乙烯基苯甲酸?
You can request a quote for 4-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 4-乙烯基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙烯基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.