3-tert-Butyl-5-chloro-2-hydroxybenzophenone
TL;DR: 3-tert-Butyl-5-chloro-2-hydroxybenzophenone (CAS 52196-47-1) is a chemical compound with molecular formula C17H17ClO2 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-5-chloro-2-hydroxyphenyl)-phenylmethanone
Also Known As: 3-tert-Butyl-5-chloro-2-hydroxybenzophenone, (3-tert-butyl-5-chloro-2-hydroxyphenyl)-phenylmethanone, (3-tert-Butyl-5-chloro-2-hydroxyphenyl)(phenyl)methanone, (3-tert-Butyl-5-chloro-2-hydroxyphenyl)(phenyl)methanone #, [5-chloro-3-(1,1-dimethylethyl)-2-hydroxyphenyl]phenylmethanone
| Molecular Formula | C17H17ClO2 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0917 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 52196-47-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(=O)C2=CC=CC=C2)Cl |
| InChIKey | LWJKCQWOGKOCPK-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-5-chloro-2-hydroxybenzophenone (CAS 52196-47-1), with molecular formula C17H17ClO2 and molecular weight 288.09 g/mol. IUPAC: (3-tert-butyl-5-chloro-2-hydroxyphenyl)-phenylmethanone.
Chemical Property Profile of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone
Property Insights of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone
The XLogP value of 5.8 indicates that 3-tert-Butyl-5-chloro-2-hydroxybenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-tert-Butyl-5-chloro-2-hydroxybenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-5-chloro-2-hydroxybenzophenone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone?
The CAS number of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone is 52196-47-1.
What is the molecular formula of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone?
The molecular formula of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone is C17H17ClO2.
What is the molecular weight of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone?
The molecular weight of 3-tert-Butyl-5-chloro-2-hydroxybenzophenone is 288.09 g/mol.
Where can I buy 3-tert-Butyl-5-chloro-2-hydroxybenzophenone?
You can request a quote for 3-tert-Butyl-5-chloro-2-hydroxybenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-5-chloro-2-hydroxybenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-5-chloro-2-hydroxybenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.