2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester
TL;DR: 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester (CAS 55591-15-6) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetate
Also Known As: 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester, 1H-Indene-4-acetic acid, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-, methyl ester, methyl 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetate, Methyl (6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)acetate, Methyl (6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)acetate #
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 55591-15-6 |
|---|---|
| SMILES | CC1(CCC2=C(C=C(C=C21)C(C)(C)C)CC(=O)OC)C |
| InChIKey | UFPAXMQISSZRQZ-UHFFFAOYSA-N |
Product Overview
2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester (CAS 55591-15-6), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: methyl 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetate.
Chemical Property Profile of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester
Property Insights of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester
The XLogP value of 5.1 indicates that 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester 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 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester?
The CAS number of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester is 55591-15-6.
What is the molecular formula of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester?
The molecular formula of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester is C18H26O2.
What is the molecular weight of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester?
The molecular weight of 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester is 274.19 g/mol.
Where can I buy 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester?
You can request a quote for 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.