Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester
TL;DR: Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester (CAS 62486-24-2) is a chemical compound with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloropropan-2-yl benzoate
Also Known As: 1,1,1-trichloropropan-2-yl benzoate, 2,2,2-Trichloro-1-methylethyl benzoate, benzoic acid,1,1,1-trichloropropan-2-ol, 2,2,2-Trichloro-1-methylethyl benzoate #, J1.088.460H
| Molecular Formula | C10H9Cl3O2 |
|---|---|
| Molecular Weight | 265.97 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.96683 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 62486-24-2 |
|---|---|
| SMILES | CC(C(Cl)(Cl)Cl)OC(=O)C1=CC=CC=C1 |
| InChIKey | UOZZELCKTHEAQQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester (CAS 62486-24-2), with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol. IUPAC: 1,1,1-trichloropropan-2-yl benzoate.
Chemical Property Profile of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester
Property Insights of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester
The XLogP value of 4.7 indicates that Benzoic acid, (2,2,2-trichloro-1-methylethyl) 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, (2,2,2-trichloro-1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, (2,2,2-trichloro-1-methylethyl) 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester?
The CAS number of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester is 62486-24-2.
What is the molecular formula of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester?
The molecular formula of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester is C10H9Cl3O2.
What is the molecular weight of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester?
The molecular weight of Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester is 265.97 g/mol.
Where can I buy Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester?
You can request a quote for Benzoic acid, (2,2,2-trichloro-1-methylethyl) 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, (2,2,2-trichloro-1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, (2,2,2-trichloro-1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.