RefChem:1071815
TL;DR: RefChem:1071815 (CAS 60722-22-7) is a chemical compound with molecular formula C12H10O6 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,8aS)-7-acetyloxy-4-oxo-4a,8a-dihydrochromene-2-carboxylic acid
Also Known As: 4H-1-Benzopyran-2-carboxylic acid, 4a,8a-dihydro-7-hydroxy-4-oxo-, acetate (ester), (E)-, trans-7-Hydroxy-4-oxo-4a,8a-dihydro-4H-1-benzopyran-2-carboxylic acid acetate (ester), (4aS,8aS)-7-acetyloxy-4-oxo-4a,8a-dihydrochromene-2-carboxylic acid, 7-(Acetyloxy)-4-oxo-4a,8a-dihydro-4H-1-benzopyran-2-carboxylic acid, (4aS,8aS)-7-(Acetyloxy)-4-oxo-4a,8a-dihydro-4H-1-benzopyran-2-carboxylic acid
| Molecular Formula | C12H10O6 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.04774 |
| Heavy Atoms | 18 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 60722-22-7 |
|---|---|
| SMILES | CC(=O)OC1=C[C@H]2[C@H](C=C1)C(=O)C=C(O2)C(=O)O |
| InChIKey | TYVWJXPAUKXIDJ-SCZZXKLOSA-N |
Product Overview
RefChem:1071815 (CAS 60722-22-7), with molecular formula C12H10O6 and molecular weight 250.05 g/mol. IUPAC: (4aS,8aS)-7-acetyloxy-4-oxo-4a,8a-dihydrochromene-2-carboxylic acid.
Chemical Property Profile of RefChem:1071815
Property Insights of RefChem:1071815
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071815. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071815. Following Lipinski's Rule of Five, RefChem:1071815 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 RefChem:1071815?
The CAS number of RefChem:1071815 is 60722-22-7.
What is the molecular formula of RefChem:1071815?
The molecular formula of RefChem:1071815 is C12H10O6.
What is the molecular weight of RefChem:1071815?
The molecular weight of RefChem:1071815 is 250.05 g/mol.
Where can I buy RefChem:1071815?
You can request a quote for RefChem:1071815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.