2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-
TL;DR: 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- (CAS 6468-77-5) is a chemical compound with molecular formula C12H6O6 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxaldehydoyl-2-oxochromene-6-carboxylic acid
Also Known As: 3-Glyoxyloyl-6-carboxycoumarin, 2-Oxo-3-(2-oxoacetyl)-2H-chromene-6-carboxylic acid, 3-oxaldehydoyl-2-oxochromene-6-carboxylic acid, 2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-GLYOXYLOYL-2-OXO-, 3-Glyoxyloyl-2-oxo-2H-1-benzopyran-6-carboxylic acid
| Molecular Formula | C12H6O6 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.01643 |
| Heavy Atoms | 18 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 6468-77-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C=C(C(=O)O2)C(=O)C=O |
| InChIKey | GKOUAWRICOWBRG-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- (CAS 6468-77-5), with molecular formula C12H6O6 and molecular weight 246.02 g/mol. IUPAC: 3-oxaldehydoyl-2-oxochromene-6-carboxylic acid.
Chemical Property Profile of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-
Property Insights of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- has 1 hydrogen bond donor(s) and 6 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 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-?
The CAS number of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- is 6468-77-5.
What is the molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-?
The molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- is C12H6O6.
What is the molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-?
The molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- is 246.02 g/mol.
Where can I buy 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-?
You can request a quote for 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.