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5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid
TL;DR: 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid (CAS 118726-68-4) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid
Also Known As: BAS 02801140, 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid, 5-Oxo-2,3,5,9b-tetrahydro-thiazolo[2,3-a]isoindole-3-carboxylic acid, Z-2097, 5-Oxo-2,3,5,9b-tetrahydro-thiazolo-[2,3-a]isoindole-3-carboxylic acid
| Molecular Formula | C11H9NO3S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.03032 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 118726-68-4 |
|---|---|
| SMILES | C1C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)O |
| InChIKey | IXPPKDOOVXQPGI-UHFFFAOYSA-N |
Product Overview
5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid (CAS 118726-68-4), with molecular formula C11H9NO3S and molecular weight 235.03 g/mol. IUPAC: 5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid.
Chemical Property Profile of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid
Property Insights of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid 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 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid?
The CAS number of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid is 118726-68-4.
What is the molecular formula of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid?
The molecular formula of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid is C11H9NO3S.
What is the molecular weight of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid?
The molecular weight of 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid is 235.03 g/mol.
Where can I buy 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid?
You can request a quote for 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.