(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
TL;DR: (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid (CAS 94356-37-3) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
Also Known As: (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid, 2-(7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid, 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-2-methyl-4-oxo-, (2H)1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-2-methyl-4-oxo-, (7-Hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl)acetic acid #
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 94356-37-3 |
|---|---|
| SMILES | CC1CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)O |
| InChIKey | MONKQYHCNQSQHL-UHFFFAOYSA-N |
Product Overview
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid (CAS 94356-37-3), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 2-(7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid.
Chemical Property Profile of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
Property Insights of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid. Following Lipinski's Rule of Five, (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid has 2 hydrogen bond donor(s) and 5 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 (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid?
The CAS number of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is 94356-37-3.
What is the molecular formula of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid?
The molecular formula of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is C12H12O5.
What is the molecular weight of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid?
The molecular weight of (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is 236.07 g/mol.
Where can I buy (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid?
You can request a quote for (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.