![3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one structure](/static/products/6921/69217-03-4.webp)
3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one
TL;DR: 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one (CAS 69217-03-4) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4,4-dimethoxycyclohexa-2,5-dien-1-one
Also Known As: 2- -4,4-dimethoxy-6-tert-butyl-cyclohexa-2,5-dien-1-one, 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4,4-, 2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-6-[3-(1,1-dimethylethyl)-2-hydroxy-5-methoxyphenyl]-4,4-dimethoxy-, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4,4-dimethoxycyclohexa-2,5-dien-1-one
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 69217-03-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C2=CC(C=C(C2=O)C(C)(C)C)(OC)OC)OC |
| InChIKey | MYTFMRDTGOEUQL-UHFFFAOYSA-N |
Product Overview
3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one (CAS 69217-03-4), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4,4-dimethoxycyclohexa-2,5-dien-1-one.
Chemical Property Profile of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one
Property Insights of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one
The XLogP value of 4.9 indicates that 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one. Following Lipinski's Rule of Five, 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one has 1 hydrogen bond donor(s) and 5 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 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one?
The CAS number of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one is 69217-03-4.
What is the molecular formula of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one?
The molecular formula of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one is C23H32O5.
What is the molecular weight of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one?
The molecular weight of 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one is 388.22 g/mol.
Where can I buy 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one?
You can request a quote for 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Di-tert-butyl-2'-hydroxy-5,5,5'-trimethoxy[1,1'-biphenyl]-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.