s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-
TL;DR: s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- (CAS 40650-59-7) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione
Also Known As: 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-s-indacene-1,7-dione, s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-, 2,3,5,6-Tetrahydro-3,3,5,5-tetramethyl-8- -s-indacene-1,7-dione, 3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione, 8-Isopentyl-3,3,5,5-tetramethyl-2,3,5,6-tetrahydro-S-indacene-1,7-dione
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 40650-59-7 |
|---|---|
| SMILES | CC(C)CCC1=C2C(=O)CC(C2=CC3=C1C(=O)CC3(C)C)(C)C |
| InChIKey | RWIXDHZYQJXGFC-UHFFFAOYSA-N |
Product Overview
s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- (CAS 40650-59-7), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: 3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione.
Chemical Property Profile of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-
Property Insights of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-
The XLogP value of 5.3 indicates that s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- has 0 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 s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-?
The CAS number of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- is 40650-59-7.
What is the molecular formula of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-?
The molecular formula of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- is C21H28O2.
What is the molecular weight of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-?
The molecular weight of s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- is 312.21 g/mol.
Where can I buy s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-?
You can request a quote for s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.