4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
TL;DR: 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) (CAS 1843-03-4) is a chemical compound with molecular formula C37H52O3 and molecular weight 544.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol
Also Known As: Topanol CA, Trisalkofen BMB, Topanol SA, henol), TPNC
| Molecular Formula | C37H52O3 |
|---|---|
| Molecular Weight | 544.39 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.39166 |
| Heavy Atoms | 40 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 1843-03-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)CC(C2=CC(=C(C=C2C)O)C(C)(C)C)C3=CC(=C(C=C3C)O)C(C)(C)C)C(C)(C)C)O |
| InChIKey | PRWJPWSKLXYEPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) (CAS 1843-03-4), with molecular formula C37H52O3 and molecular weight 544.39 g/mol. IUPAC: 4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol.
Chemical Property Profile of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
Property Insights of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
The XLogP value of 11.5 indicates that 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol). Following Lipinski's Rule of Five, 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)?
The CAS number of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) is 1843-03-4.
What is the molecular formula of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)?
The molecular formula of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) is C37H52O3.
What is the molecular weight of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)?
The molecular weight of 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) is 544.39 g/mol.
Where can I buy 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)?
You can request a quote for 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.