1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-
TL;DR: 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- (CAS 59488-99-2) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid
Also Known As: (7,7-Dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)acetic acid, 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-, 2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid, 1,4-dioxo-7,7-dimethyl-4,5,6,7-tetrahydro-2-indanacetic acid, 7,7-dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydroinden-2-ylacetic acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 59488-99-2 |
|---|---|
| SMILES | CC1(CCC(=O)C2=C1C(=O)C(C2)CC(=O)O)C |
| InChIKey | UDGQJBVBTOPBIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- (CAS 59488-99-2), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid.
Chemical Property Profile of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-
Property Insights of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-. Following Lipinski's Rule of Five, 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- has 1 hydrogen bond donor(s) and 4 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 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-?
The CAS number of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- is 59488-99-2.
What is the molecular formula of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-?
The molecular formula of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- is C13H16O4.
What is the molecular weight of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-?
The molecular weight of 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- is 236.10 g/mol.
Where can I buy 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-?
You can request a quote for 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-2-acetic acid, 2,3,4,5,6,7-hexahydro-7,7-dimethyl-1,4-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.