Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate
TL;DR: Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate (CAS 31644-71-0) is a chemical compound with molecular formula C15H11Cl3O2 and molecular weight 327.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-phenylethyl) benzoate
Also Known As: 2,2,2-trichloro-1-phenylethyl benzoate, (2,2,2-trichloro-1-phenylethyl) benzoate, (Trichloromethyl)phenylcarbinol phenylacetate, Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate, Benzenemethanol, alpha-(trichloromethyl)-, benzoate
| Molecular Formula | C15H11Cl3O2 |
|---|---|
| Molecular Weight | 327.98 g/mol |
| LogP | 4.9549 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.98245 |
| Heavy Atoms | 20 |
| Complexity | 564.6774 |
Chemical Identifiers
| CAS Number | 31644-71-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)OC(=O)C2=CC=CC=C2 |
Product Overview
Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate (CAS 31644-71-0), with molecular formula C15H11Cl3O2 and molecular weight 327.98 g/mol. IUPAC: (2,2,2-trichloro-1-phenylethyl) benzoate.
Chemical Property Profile of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate
Property Insights of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate
The XLogP value of 4.9549 indicates that Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate 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 Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate?
The CAS number of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate is 31644-71-0.
What is the molecular formula of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate?
The molecular formula of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate is C15H11Cl3O2.
What is the molecular weight of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate?
The molecular weight of Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate is 327.98 g/mol.
Where can I buy Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate?
You can request a quote for Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-(trichloromethyl)-, 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.