Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate
TL;DR: Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate (CAS 36519-25-2) is a chemical compound with molecular formula C11H11Cl3O2 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-phenylethyl) propanoate
Also Known As: alpha-(Trichloromethyl)benzyl propionate, alpha-(Trichloromethyl)benzenemethanol propanoate, (2,2,2-trichloro-1-phenylethyl) propanoate, A-(trichloromethyl)benzenemethanol propanoate, 2,2,2-trichloro-1-phenylethyl propionate
| Molecular Formula | C11H11Cl3O2 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.98245 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 36519-25-2 |
|---|---|
| SMILES | CCC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl |
| InChIKey | UCXKKRMHRMTKQF-UHFFFAOYSA-N |
Product Overview
Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate (CAS 36519-25-2), with molecular formula C11H11Cl3O2 and molecular weight 279.98 g/mol. IUPAC: (2,2,2-trichloro-1-phenylethyl) propanoate.
Chemical Property Profile of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate
Property Insights of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate
The XLogP value of 4.0 indicates that Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate 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-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate 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-propanoate?
The CAS number of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate is 36519-25-2.
What is the molecular formula of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate?
The molecular formula of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate is C11H11Cl3O2.
What is the molecular weight of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate?
The molecular weight of Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate is 279.98 g/mol.
Where can I buy Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate?
You can request a quote for Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate 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-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-(trichloromethyl)-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.