Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester
TL;DR: Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester (CAS 71042-88-1) is a chemical compound with molecular formula C18H16O3 and molecular weight 280.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 2-(4-methylbenzoyl)benzoate
Also Known As: 2- benzoicacid2-propenylester, allyl 2-(4-methylbenzoyl)benzoate, prop-2-enyl 2-(4-methylbenzoyl)benzoate, Benzoic acid, 2-(4-methylbenzoyl)-, 2-propenyl ester, 2-(4-Methylbenzoyl)benzoic acid, 2-propenyl ester
Technical Specifications
| Molecular Formula | C18H16O3 |
| Molecular Weight | 280.10995 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.10995 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC=C |
| InChIKey | YCLLXKBICMILAO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester
Property Insights of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester
The XLogP value of 4.1 indicates that Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester has 0 hydrogen bond donor(s) and 3 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, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester?
The CAS number of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester is 71042-88-1.
What is the molecular formula of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester?
The molecular formula of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester is C18H16O3.
What is the molecular weight of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester?
The molecular weight of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester is 280.10995 g/mol.
Where can I buy Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester?
You can request a quote for Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.