1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
TL;DR: 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione (CAS 191608-68-1) is a chemical compound with molecular formula C35H48O4 and molecular weight 532.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,6E)-1,7-bis(3,5-ditert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Also Known As: J1.391.356K, 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 1,7-bis(3,5-di-tert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione, 1,7-Bis(4-hydroxy-3,5-di-tert-butylphenyl)-1,6-heptadiene-3,5-dione, (1E,6E)-1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
| Molecular Formula | C35H48O4 |
|---|---|
| Molecular Weight | 532.36 g/mol |
| LogP | 8.5427 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.3553 |
| Heavy Atoms | 39 |
| Complexity | 1122.6007 |
Chemical Identifiers
| CAS Number | 191608-68-1 |
|---|---|
| SMILES | CC(C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(C)C |
Product Overview
1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione (CAS 191608-68-1), with molecular formula C35H48O4 and molecular weight 532.36 g/mol. IUPAC: (1E,6E)-1,7-bis(3,5-ditert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione.
Chemical Property Profile of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
Property Insights of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
The XLogP value of 8.5427 indicates that 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione. Following Lipinski's Rule of Five, 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione?
The CAS number of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione is 191608-68-1.
What is the molecular formula of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione?
The molecular formula of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione is C35H48O4.
What is the molecular weight of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione?
The molecular weight of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione is 532.36 g/mol.
Where can I buy 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione?
You can request a quote for 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.