4,6-Diisopropyl-m-cresol
TL;DR: 4,6-Diisopropyl-m-cresol (CAS 40625-96-5) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,4-di(propan-2-yl)phenol
Also Known As: 2,4-Diisopropyl-5-methylphenol, 4,6-Diisopropyl-m-cresol, Pseudocumenol, 5-Methyl-2,4-diisopropylphenol, Thymol Impurity 2
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 40625-96-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)C(C)C)O |
| InChIKey | NNSNIMZGXLISCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Diisopropyl-m-cresol (CAS 40625-96-5), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 5-methyl-2,4-di(propan-2-yl)phenol.
Chemical Property Profile of 4,6-Diisopropyl-m-cresol
Property Insights of 4,6-Diisopropyl-m-cresol
The XLogP value of 4.2 indicates that 4,6-Diisopropyl-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, 4,6-Diisopropyl-m-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Diisopropyl-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 4,6-Diisopropyl-m-cresol?
The CAS number of 4,6-Diisopropyl-m-cresol is 40625-96-5.
What is the molecular formula of 4,6-Diisopropyl-m-cresol?
The molecular formula of 4,6-Diisopropyl-m-cresol is C13H20O.
What is the molecular weight of 4,6-Diisopropyl-m-cresol?
The molecular weight of 4,6-Diisopropyl-m-cresol is 192.15 g/mol.
Where can I buy 4,6-Diisopropyl-m-cresol?
You can request a quote for 4,6-Diisopropyl-m-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diisopropyl-m-cresol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diisopropyl-m-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.