(3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid
TL;DR: (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid (CAS 21156-58-1) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
Also Known As: (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylic acid, (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid, (3S)-1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 21156-58-1 |
|---|---|
| SMILES | C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)O |
| InChIKey | AMDCSPFANXXWQC-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid (CAS 21156-58-1), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylic acid.
Chemical Property Profile of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid
Property Insights of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-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 (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid?
The CAS number of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid is 21156-58-1.
What is the molecular formula of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid?
The molecular formula of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid is C10H8O4.
What is the molecular weight of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid?
The molecular weight of (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid is 192.04 g/mol.
Where can I buy (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid?
You can request a quote for (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-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 (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3,4-Dihydro-1-oxo-1H-2-benzopyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.