Benzoic acid, 3,5-diethenyl-, methyl ester
TL;DR: Benzoic acid, 3,5-diethenyl-, methyl ester (CAS 131236-11-8) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,5-bis(ethenyl)benzoate
Also Known As: Methyl 3,5-diethenylbenzoate, methyl-3,5-divinylbenzoate, methyl 3,5-bis(ethenyl)benzoate, Benzoic acid, 3,5-diethenyl-, methyl ester, 3,5-Divinylbenzoic acid methyl ester
Technical Specifications
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.08372 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.08372 Da |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C=C)C=C |
| InChIKey | PPBMJYBZNJTMOS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-diethenyl-, methyl ester
Property Insights of Benzoic acid, 3,5-diethenyl-, methyl ester
The XLogP value of 3.3 indicates that Benzoic acid, 3,5-diethenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3,5-diethenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-diethenyl-, 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
What is the CAS number of Benzoic acid, 3,5-diethenyl-, methyl ester?
The CAS number of Benzoic acid, 3,5-diethenyl-, methyl ester is 131236-11-8.
What is the molecular formula of Benzoic acid, 3,5-diethenyl-, methyl ester?
The molecular formula of Benzoic acid, 3,5-diethenyl-, methyl ester is C12H12O2.
What is the molecular weight of Benzoic acid, 3,5-diethenyl-, methyl ester?
The molecular weight of Benzoic acid, 3,5-diethenyl-, methyl ester is 188.08372 g/mol.
Where can I buy Benzoic acid, 3,5-diethenyl-, methyl ester?
You can request a quote for Benzoic acid, 3,5-diethenyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-diethenyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-diethenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.