![2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one structure](/static/products/115/115214-74-9.png)
2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one
TL;DR: 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one (CAS 115214-74-9) is a chemical compound with molecular formula C28H40O4 and molecular weight 440.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',4,6,6'-tetratert-butyl-2'-hydroxyspiro[1,3-benzodioxole-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one, 2',4,5',6-tetra-tert-butyl-3'-hydroxyspiro[benzo[d][1,3]dioxole-2,1'-cyclohexa[2,5]dien]-4'-one, 2'-hydroxy-3',4,6,6'-tetratert-butyl-spiro[benzo[1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-one, 3',4,6,6'-tetratert-butyl-2'-hydroxyspiro[1,3-benzodioxole-2,4'-cyclohexa-2,5-diene]-1'-one
| Molecular Formula | C28H40O4 |
|---|---|
| Molecular Weight | 440.29 g/mol |
| LogP | 7.1625 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 440.29266 |
| Heavy Atoms | 32 |
| Complexity | 1027.3967 |
Chemical Identifiers
| CAS Number | 115214-74-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C1)OC3(O2)C=C(C(=O)C(=C3C(C)(C)C)O)C(C)(C)C)C(C)(C)C |
Product Overview
2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one (CAS 115214-74-9), with molecular formula C28H40O4 and molecular weight 440.29 g/mol. IUPAC: 3',4,6,6'-tetratert-butyl-2'-hydroxyspiro[1,3-benzodioxole-2,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one
Property Insights of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one
The XLogP value of 7.1625 indicates that 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one has 1 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 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one?
The CAS number of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one is 115214-74-9.
What is the molecular formula of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one?
The molecular formula of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one is C28H40O4.
What is the molecular weight of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one?
The molecular weight of 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one is 440.29 g/mol.
Where can I buy 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one?
You can request a quote for 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one?
Yes, KEHONG BIO provides custom synthesis services for 2',4,5',6-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.