Flexuosin B
TL;DR: Flexuosin B (CAS 6805-36-3) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aR,5R,5aS,6S,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
Also Known As: Flexuosin B, Flexuosin-B, FLEXUOSINE B, [(1S,3aR,5R,5aS,6S,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, dodecahydro-7-hydroxy-3,4a,8-trimethyl-2,5-dioxazuleno(6,5-b)furan-4-yl ester, (3S-(3alpha,3abeta,4beta,4aalpha,7beta,7abeta,7abeta, 8beta,9abeta))-
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 6805-36-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1[C@H](CC3=O)O)C)OC(=O)C=C(C)C |
| InChIKey | NVWSHXGIQXQTBM-SLLDRMNISA-N |
Product Overview
Flexuosin B (CAS 6805-36-3), with molecular formula C20H28O6 and molecular weight 364.19 g/mol. IUPAC: [(1S,3aR,5R,5aS,6S,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate.
Chemical Property Profile of Flexuosin B
Property Insights of Flexuosin B
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flexuosin B. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Flexuosin B. Following Lipinski's Rule of Five, Flexuosin 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 Flexuosin B?
The CAS number of Flexuosin B is 6805-36-3.
What is the molecular formula of Flexuosin B?
The molecular formula of Flexuosin B is C20H28O6.
What is the molecular weight of Flexuosin B?
The molecular weight of Flexuosin B is 364.19 g/mol.
Where can I buy Flexuosin B?
You can request a quote for Flexuosin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flexuosin B?
Yes, KEHONG BIO provides custom synthesis services for Flexuosin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.