Isoheleniamarin
TL;DR: Isoheleniamarin (CAS 6586-77-2) 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,5S,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,7,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Also Known As: Isoheleniamarin, Ambros-1-en-12-oic acid, 6beta,8alpha-dihydroxy-4-oxo-, 12,8-lactone acetate, (3R,3AS,4R,4ar,8R,9as)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3ah,4H,4ah,5H,6H,8H,9H,9ah-azuleno(6,5-b)furan-4-yl acetic acid, (3R,3AS,4R,4ar,8R,9as)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3ah,4H,4ah,5H,6H,8H,9H,9ah-azuleno[6,5-b]furan-4-yl acetic acid, (4R,4aR,8S,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,6,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 2.0411 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 577.5984 |
Chemical Identifiers
| CAS Number | 6586-77-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2C([C@H]([C@]3(C1=CCC3=O)C)OC(=O)C)C(C(=O)O2)C |
Product Overview
Isoheleniamarin (CAS 6586-77-2), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(3aR,5S,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,7,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate.
Chemical Property Profile of Isoheleniamarin
Property Insights of Isoheleniamarin
The XLogP value of 2.0411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoheleniamarin. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoheleniamarin. Following Lipinski's Rule of Five, Isoheleniamarin has 0 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 Isoheleniamarin?
The CAS number of Isoheleniamarin is 6586-77-2.
What is the molecular formula of Isoheleniamarin?
The molecular formula of Isoheleniamarin is C17H22O5.
What is the molecular weight of Isoheleniamarin?
The molecular weight of Isoheleniamarin is 306.15 g/mol.
Where can I buy Isoheleniamarin?
You can request a quote for Isoheleniamarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoheleniamarin?
Yes, KEHONG BIO provides custom synthesis services for Isoheleniamarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.