(1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid
TL;DR: (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid (CAS 40985-43-1) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-3-oxo-1,2-dihydroindene-1-carboxylic acid
Also Known As: (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid, (1S)-3-oxo-1,2-dihydroindene-1-carboxylic acid, (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylicacid, (S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 40985-43-1 |
|---|---|
| SMILES | C1[C@@H](C2=CC=CC=C2C1=O)C(=O)O |
| InChIKey | HXLJFMRZKCSTQD-QMMMGPOBSA-N |
Product Overview
(1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid (CAS 40985-43-1), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: (1S)-3-oxo-1,2-dihydroindene-1-carboxylic acid.
Chemical Property Profile of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid
Property Insights of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic 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 (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid?
The CAS number of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid is 40985-43-1.
What is the molecular formula of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid?
The molecular formula of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid is C10H8O3.
What is the molecular weight of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid?
The molecular weight of (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid is 176.05 g/mol.
Where can I buy (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid?
You can request a quote for (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.