6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol
TL;DR: 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol (CAS 38954-41-5) is a chemical compound with molecular formula C22H30O2 and molecular weight 326.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)-6-methylphenol
Also Known As: NCIStruc1_001435, NCIStruc2_001715, NCI60_000795, NCI60_004680, 3,3'-ditert-butyl-5,5'-dimethyl[1,1'-biphenyl]-4,4'-diol
| Molecular Formula | C22H30O2 |
|---|---|
| Molecular Weight | 326.22 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.22458 |
| Heavy Atoms | 24 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 38954-41-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C)O)C(C)(C)C |
| InChIKey | UFFRXKCBFTZHIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol (CAS 38954-41-5), with molecular formula C22H30O2 and molecular weight 326.22 g/mol. IUPAC: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)-6-methylphenol.
Chemical Property Profile of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol
Property Insights of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol
The XLogP value of 6.9 indicates that 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol has 2 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 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol?
The CAS number of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol is 38954-41-5.
What is the molecular formula of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol?
The molecular formula of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol is C22H30O2.
What is the molecular weight of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol?
The molecular weight of 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol is 326.22 g/mol.
Where can I buy 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol?
You can request a quote for 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol?
Yes, KEHONG BIO provides custom synthesis services for 6,6'-DI-Tert.butyl-4,4'-BI-ortho-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.