o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-
TL;DR: o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- (CAS 27291-90-3) is a chemical compound with molecular formula C17H18Cl2O and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]phenol
Also Known As: 2-(3',4'-Dichlorobenzyl)-4-t-butylphenol, 4-tert-butyl-2-(3,4-dichlorobenzyl)phenol, o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-, 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]phenol, 4-tert-Butyl-alpha-(3,4-dichlorophenyl)-o-cresol
| Molecular Formula | C17H18Cl2O |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.07346 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 27291-90-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)CC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | WRNVIOREVARFLN-UHFFFAOYSA-N |
Product Overview
o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- (CAS 27291-90-3), with molecular formula C17H18Cl2O and molecular weight 308.07 g/mol. IUPAC: 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]phenol.
Chemical Property Profile of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-
Property Insights of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-
The XLogP value of 6.4 indicates that o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- 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-tert-butyl-alpha-(3,4-dichlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- 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-tert-butyl-alpha-(3,4-dichlorophenyl)-?
The CAS number of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- is 27291-90-3.
What is the molecular formula of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-?
The molecular formula of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- is C17H18Cl2O.
What is the molecular weight of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-?
The molecular weight of o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- is 308.07 g/mol.
Where can I buy o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)-?
You can request a quote for o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- 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-tert-butyl-alpha-(3,4-dichlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for o-Cresol, 4-tert-butyl-alpha-(3,4-dichlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.