2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid
TL;DR: 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid (CAS 21932-65-0) 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-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)propanoic acid
Also Known As: Sid 3736089, 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid, 2-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)propanoic acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.7358 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 446.33582 |
Chemical Identifiers
| CAS Number | 21932-65-0 |
|---|---|
| SMILES | CC(C1=C2CCC(=O)C2(CCC1=O)C)C(=O)O |
Product Overview
2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid (CAS 21932-65-0), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)propanoic acid.
Chemical Property Profile of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid
Property Insights of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid
The XLogP value of 1.7358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid has 1 hydrogen bond donor(s) and 3 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 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid?
The CAS number of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid is 21932-65-0.
What is the molecular formula of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid?
The molecular formula of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid is C13H16O4.
What is the molecular weight of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid?
The molecular weight of 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid is 236.10 g/mol.
Where can I buy 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid?
You can request a quote for 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.