Benzoic acid, 4-(chlorocarbonyl)-, butyl ester
TL;DR: Benzoic acid, 4-(chlorocarbonyl)-, butyl ester (CAS 39853-28-6) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-carbonochloridoylbenzoate
Also Known As: 4- benzoicacidbutylester, butyl 4-carbonochloridoylbenzoate, Benzoic acid, 4-(chlorocarbonyl)-, butyl ester, Butyl 4-(chlorocarbonyl)benzoate, 4-(chlorocarbonyl)benzoic acid butyl ester
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 3.0225 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 370.3552 |
Chemical Identifiers
| CAS Number | 39853-28-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C(=O)Cl |
Product Overview
Benzoic acid, 4-(chlorocarbonyl)-, butyl ester (CAS 39853-28-6), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: butyl 4-carbonochloridoylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester
Property Insights of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester
The XLogP value of 3.0225 indicates that Benzoic acid, 4-(chlorocarbonyl)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Benzoic acid, 4-(chlorocarbonyl)-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(chlorocarbonyl)-, butyl 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester?
The CAS number of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester is 39853-28-6.
What is the molecular formula of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester?
The molecular formula of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester is C12H13ClO3.
What is the molecular weight of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester?
The molecular weight of Benzoic acid, 4-(chlorocarbonyl)-, butyl ester is 240.06 g/mol.
Where can I buy Benzoic acid, 4-(chlorocarbonyl)-, butyl ester?
You can request a quote for Benzoic acid, 4-(chlorocarbonyl)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(chlorocarbonyl)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(chlorocarbonyl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.