o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-
TL;DR: o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- (CAS 27287-91-8) 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-butan-2-yl-2-[(4-chlorophenyl)methyl]phenol
Also Known As: 2-(4'-Chlorobenzyl)-4-sec-butylphenol, 4-sec-Butyl-alpha-(p-chlorophenyl)-o-cresol, 4-(butan-2-yl)-2-(4-chlorobenzyl)phenol, o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-, 4-butan-2-yl-2-[(4-chlorophenyl)methyl]phenol
| Molecular Formula | C17H19ClO |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.11246 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 27287-91-8 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)O)CC2=CC=C(C=C2)Cl |
| InChIKey | VVVGSXSXEXLTAO-UHFFFAOYSA-N |
Product Overview
o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- (CAS 27287-91-8), with molecular formula C17H19ClO and molecular weight 274.11 g/mol. IUPAC: 4-butan-2-yl-2-[(4-chlorophenyl)methyl]phenol.
Chemical Property Profile of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-
Property Insights of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-
The XLogP value of 5.8 indicates that o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-?
The CAS number of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- is 27287-91-8.
What is the molecular formula of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-?
The molecular formula of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- is C17H19ClO.
What is the molecular weight of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-?
The molecular weight of o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- is 274.11 g/mol.
Where can I buy o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-?
You can request a quote for o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for o-Cresol, 4-sec-butyl-alpha-(p-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.