Cumambrin A
TL;DR: Cumambrin A (CAS 20482-33-1) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
Also Known As: cumambrin A, [(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate, Azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,6,6a,7,9a,9b-octahydro-6-hydroxy-6,9-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-, ((3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno(4,5-b)furan-4-yl) acetate, (3aR)-3a,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-4beta-acetoxy-6,9-dimethyl-6beta-hydroxy-3-methyleneazuleno[4,5-b]furan-2(3H)-one
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 20482-33-1 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@H](C[C@@]2(C)O)OC(=O)C)C(=C)C(=O)O3 |
| InChIKey | XMJROHDIQQOWTO-NRPXGKOBSA-N |
Product Overview
Cumambrin A (CAS 20482-33-1), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate.
Chemical Property Profile of Cumambrin A
Property Insights of Cumambrin A
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cumambrin A. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cumambrin A. Following Lipinski's Rule of Five, Cumambrin A has 1 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 Cumambrin A?
The CAS number of Cumambrin A is 20482-33-1.
What is the molecular formula of Cumambrin A?
The molecular formula of Cumambrin A is C17H22O5.
What is the molecular weight of Cumambrin A?
The molecular weight of Cumambrin A is 306.15 g/mol.
Where can I buy Cumambrin A?
You can request a quote for Cumambrin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cumambrin A?
Yes, KEHONG BIO provides custom synthesis services for Cumambrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.