Ergolide
TL;DR: Ergolide (CAS 6336-17-0) 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.
[(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
Also Known As: Ergolide, Dihydrobigelovin, KST-1A6892, HY-N6893, [(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 6336-17-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | JCDZXDWMCKMXFF-MMLVVLEOSA-N |
Product Overview
Ergolide (CAS 6336-17-0), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate.
Chemical Property Profile of Ergolide
Property Insights of Ergolide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergolide. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergolide. Following Lipinski's Rule of Five, Ergolide 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 Ergolide?
The CAS number of Ergolide is 6336-17-0.
What is the molecular formula of Ergolide?
The molecular formula of Ergolide is C17H22O5.
What is the molecular weight of Ergolide?
The molecular weight of Ergolide is 306.15 g/mol.
Where can I buy Ergolide?
You can request a quote for Ergolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergolide?
Yes, KEHONG BIO provides custom synthesis services for Ergolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.