6-tert-Butyl-4-chloro-m-cresol
TL;DR: 6-tert-Butyl-4-chloro-m-cresol (CAS 30894-16-7) is a chemical compound with molecular formula C11H15ClO and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-chloro-5-methylphenol
Also Known As: 6-tert-Butyl-4-chloro-m-cresol, Methyl chlorothymol, Caswell No. 126, 2-(tert-Butyl)-4-chloro-5-methylphenol, 2-tert-Butyl-4-chloro-5-methylphenol
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 30894-16-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)(C)C)O |
| InChIKey | PDCFFHOQPXOVDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-tert-Butyl-4-chloro-m-cresol (CAS 30894-16-7), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 2-tert-butyl-4-chloro-5-methylphenol.
Chemical Property Profile of 6-tert-Butyl-4-chloro-m-cresol
Property Insights of 6-tert-Butyl-4-chloro-m-cresol
The XLogP value of 4.5 indicates that 6-tert-Butyl-4-chloro-m-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 6-tert-Butyl-4-chloro-m-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-4-chloro-m-cresol 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 6-tert-Butyl-4-chloro-m-cresol?
The CAS number of 6-tert-Butyl-4-chloro-m-cresol is 30894-16-7.
What is the molecular formula of 6-tert-Butyl-4-chloro-m-cresol?
The molecular formula of 6-tert-Butyl-4-chloro-m-cresol is C11H15ClO.
What is the molecular weight of 6-tert-Butyl-4-chloro-m-cresol?
The molecular weight of 6-tert-Butyl-4-chloro-m-cresol is 198.08 g/mol.
Where can I buy 6-tert-Butyl-4-chloro-m-cresol?
You can request a quote for 6-tert-Butyl-4-chloro-m-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-4-chloro-m-cresol?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-4-chloro-m-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.