Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester
TL;DR: Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester (CAS 91954-47-1) is a chemical compound with molecular formula C13H12Cl2O3 and molecular weight 286.01636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 3,5-dichloro-4-prop-2-enoxybenzoate
Also Known As: Allyl 4-allyloxy-3,5-dichlorobenzoate, 4-Allyloxy-3,5-dichlorobenzoic acid allyl ester, BENZOIC ACID, 4-(ALLYLOXY)-3,5-DICHLORO-, ALLYL ESTER, benzyl 4-nitrosopiperazine-1-carboxylate, prop-2-enyl 3,5-dichloro-4-prop-2-enoxybenzoate
Technical Specifications
| Molecular Formula | C13H12Cl2O3 |
| Molecular Weight | 286.01636 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.01636 Da |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
| SMILES | C=CCOC1=C(C=C(C=C1Cl)C(=O)OCC=C)Cl |
| InChIKey | HUNRSLGZDCMRMJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester
Property Insights of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester
The XLogP value of 4.3 indicates that Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl 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, 4-(allyloxy)-3,5-dichloro-, allyl ester?
The CAS number of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester is 91954-47-1.
What is the molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester?
The molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester is C13H12Cl2O3.
What is the molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester?
The molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester is 286.01636 g/mol.
Where can I buy Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester?
You can request a quote for Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.