Cumanin
TL;DR: Cumanin (CAS 6605-88-5) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,7S,8R,8aS)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Also Known As: cumanin, Geigerinin, (5S,7S,8R,8aS)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one, (5S,7S,8R,8aS)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno(6,5-b)furan-2-one, (5S,7S,8R,8aS)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]uran-2-one
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 6605-88-5 |
|---|---|
| SMILES | C[C@H]1CC2C(C[C@]3(C1C[C@@H]([C@@H]3O)O)C)C(=C)C(=O)O2 |
| InChIKey | ZFCRHGITKWEXDY-RKKSEIHCSA-N |
Product Overview
Cumanin (CAS 6605-88-5), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (5S,7S,8R,8aS)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one.
Chemical Property Profile of Cumanin
Property Insights of Cumanin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cumanin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cumanin. Following Lipinski's Rule of Five, Cumanin has 2 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 Cumanin?
The CAS number of Cumanin is 6605-88-5.
What is the molecular formula of Cumanin?
The molecular formula of Cumanin is C15H22O4.
What is the molecular weight of Cumanin?
The molecular weight of Cumanin is 266.15 g/mol.
Where can I buy Cumanin?
You can request a quote for Cumanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cumanin?
Yes, KEHONG BIO provides custom synthesis services for Cumanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.