![(1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione structure](/static/products/9871/98718-97-9.webp)
(1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione
TL;DR: (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione (CAS 98718-97-9) is a chemical compound with molecular formula C15H12O7 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione
Also Known As: (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione, Anthra(1,2-b)oxirene-4,9-dione, 1a,2,3,9b-tetrahydro-2,3,5,8-tetrahydroxy-2-methyl-, (1aalpha,2beta,3alpha,9balpha)-
| Molecular Formula | C15H12O7 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.0583 |
| Heavy Atoms | 22 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 98718-97-9 |
|---|---|
| SMILES | C[C@]1([C@@H]2[C@@H](O2)C3=C([C@@H]1O)C(=C4C(=O)C=CC(=O)C4=C3O)O)O |
| InChIKey | WCUYJLIRXRBCFF-AJNGGQMLSA-N |
Product Overview
(1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione (CAS 98718-97-9), with molecular formula C15H12O7 and molecular weight 304.06 g/mol. IUPAC: (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione.
Chemical Property Profile of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione
Property Insights of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione
The XLogP value of -0.1 indicates that (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione. Following Lipinski's Rule of Five, (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione has 4 hydrogen bond donor(s) and 7 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 (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione?
The CAS number of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione is 98718-97-9.
What is the molecular formula of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione?
The molecular formula of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione is C15H12O7.
What is the molecular weight of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione?
The molecular weight of (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione is 304.06 g/mol.
Where can I buy (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione?
You can request a quote for (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione?
Yes, KEHONG BIO provides custom synthesis services for (1aS,2S,3S,9bS)-2,3,4,9-tetrahydroxy-2-methyl-3,9b-dihydro-1aH-anthra[1,2-b]oxirene-5,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.