Fastigilin B
TL;DR: Fastigilin B (CAS 6995-11-5) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
Also Known As: Fastigilin B, FASTIGILIIN B, [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate, (3S,3aS,4S,4aR,7aS,8S,9R,9aS)-9-Hydroxy-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 3-methylbut-2-enoate, (3S,3AS,4S,4AR,7AS,8S,9R,9AS)-9-HYDROXY-3,4A,8-TRIMETHYL-2,5-DIOXO-2H,3H,3AH,4H,4AH,5H,7AH,8H,9H,9AH-AZULENO[6,5-B]FURAN-4-YL 3-METHYLBUT-2-ENOATE
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 6995-11-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@H]([C@@H]3[C@@H](C(=O)O[C@@H]3[C@@H]1O)C)OC(=O)C=C(C)C)C |
| InChIKey | DLISCHVYLYGCNV-HJDABSCOSA-N |
Product Overview
Fastigilin B (CAS 6995-11-5), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate.
Chemical Property Profile of Fastigilin B
Property Insights of Fastigilin B
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fastigilin B. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Fastigilin B. Following Lipinski's Rule of Five, Fastigilin B has 1 hydrogen bond donor(s) and 6 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 Fastigilin B?
The CAS number of Fastigilin B is 6995-11-5.
What is the molecular formula of Fastigilin B?
The molecular formula of Fastigilin B is C20H26O6.
What is the molecular weight of Fastigilin B?
The molecular weight of Fastigilin B is 362.17 g/mol.
Where can I buy Fastigilin B?
You can request a quote for Fastigilin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fastigilin B?
Yes, KEHONG BIO provides custom synthesis services for Fastigilin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.