1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-
TL;DR: 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- (CAS 13936-01-1) is a chemical compound with molecular formula C23H26O2 and molecular weight 334.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-ditert-butylphenyl)indene-1,3-dione
Also Known As: 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-, 2-(3,5-di-tert-butylphenyl)-1h-indene-1,3(2h)-dione, 2-(3,5-ditert-butylphenyl)indene-1,3-dione, J1.575.258K, 2-[3,5-Di(tert-butyl)phenyl]-1,3-indandione
| Molecular Formula | C23H26O2 |
|---|---|
| Molecular Weight | 334.19 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.19327 |
| Heavy Atoms | 25 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 13936-01-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C |
| InChIKey | ITVMYFGQCMFWIN-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- (CAS 13936-01-1), with molecular formula C23H26O2 and molecular weight 334.19 g/mol. IUPAC: 2-(3,5-ditert-butylphenyl)indene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-
Property Insights of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-
The XLogP value of 6.2 indicates that 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- 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 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-?
The CAS number of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- is 13936-01-1.
What is the molecular formula of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-?
The molecular formula of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- is C23H26O2.
What is the molecular weight of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-?
The molecular weight of 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- is 334.19 g/mol.
Where can I buy 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-?
You can request a quote for 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.