4-tert-Butyl-3'-chlorobenzhydrol
TL;DR: 4-tert-Butyl-3'-chlorobenzhydrol (CAS 40626-12-8) is a chemical compound with molecular formula C17H19ClO and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-(3-chlorophenyl)methanol
Also Known As: 4-tert-Butyl-3'-chlorobenzhydrol, (4-(tert-Butyl)phenyl)(3-chlorophenyl)methanol, (4-tert-butylphenyl)-(3-chlorophenyl)methanol, (4-tert-butylphenyl)(3-chlorophenyl)methanol, 3-Chloro-a-[4-(1,1-dimethylethyl)phenyl]benzenemethanol
| Molecular Formula | C17H19ClO |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 4.7192 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.11246 |
| Heavy Atoms | 19 |
| Complexity | 552.2199 |
Chemical Identifiers
| CAS Number | 40626-12-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)O |
Product Overview
4-tert-Butyl-3'-chlorobenzhydrol (CAS 40626-12-8), with molecular formula C17H19ClO and molecular weight 274.11 g/mol. IUPAC: (4-tert-butylphenyl)-(3-chlorophenyl)methanol.
Chemical Property Profile of 4-tert-Butyl-3'-chlorobenzhydrol
Property Insights of 4-tert-Butyl-3'-chlorobenzhydrol
The XLogP value of 4.7192 indicates that 4-tert-Butyl-3'-chlorobenzhydrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 4-tert-Butyl-3'-chlorobenzhydrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-3'-chlorobenzhydrol has 1 hydrogen bond donor(s) and 1 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 4-tert-Butyl-3'-chlorobenzhydrol?
The CAS number of 4-tert-Butyl-3'-chlorobenzhydrol is 40626-12-8.
What is the molecular formula of 4-tert-Butyl-3'-chlorobenzhydrol?
The molecular formula of 4-tert-Butyl-3'-chlorobenzhydrol is C17H19ClO.
What is the molecular weight of 4-tert-Butyl-3'-chlorobenzhydrol?
The molecular weight of 4-tert-Butyl-3'-chlorobenzhydrol is 274.11 g/mol.
Where can I buy 4-tert-Butyl-3'-chlorobenzhydrol?
You can request a quote for 4-tert-Butyl-3'-chlorobenzhydrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-3'-chlorobenzhydrol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-3'-chlorobenzhydrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.