4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
TL;DR: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid (CAS 75382-32-0) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
Also Known As: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid, Bionet2_001084, 1H-Indene-5-butanoicacid, 2,3-dihydro-g-oxo-, 4-indan-5-yl-4-oxo-butanoic acid, 4-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXOBUTANOICACID
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.2228 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 434.8039 |
Chemical Identifiers
| CAS Number | 75382-32-0 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)O |
Product Overview
4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid (CAS 75382-32-0), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
Property Insights of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
The XLogP value of 2.2228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 2 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 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid?
The CAS number of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid is 75382-32-0.
What is the molecular formula of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid?
The molecular formula of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid is C13H14O3.
What is the molecular weight of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid?
The molecular weight of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid is 218.09 g/mol.
Where can I buy 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid?
You can request a quote for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.