5,6-O-Isopropylidene-dihydrolyoniol-B
TL;DR: 5,6-O-Isopropylidene-dihydrolyoniol-B (CAS 52795-01-4) is a chemical compound with molecular formula C23H38O6 and molecular weight 410.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,9S,11S,12R,13R,16S,17R)-5,5,8,8,12,17-hexamethyl-4,6-dioxapentacyclo[14.2.1.01,13.03,7.07,11]nonadecane-2,9,12,17-tetrol
Also Known As: 5,6-O-Isopropylidene-dihydrolyoniol-B, Grayanotoxane-3,5,6,7,10,16-hexol, cyclic 5,6-(1-methylethylidene acetyl), (3-beta,6-beta,7-alpha)-, (5S,6aS,7R,7aR,10S,11R,13S,13aR)-2,2,4,4,7,11-Hexamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,13-tetrol, 2,2,4,4,7,11-Hexamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,13-tetrol, RefChem:346667
| Molecular Formula | C23H38O6 |
|---|---|
| Molecular Weight | 410.27 g/mol |
| LogP | 1.9666 |
| Topological Polar Surface Area | 99.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 410.26685 |
| Heavy Atoms | 29 |
| Complexity | 728.8797 |
Chemical Identifiers
| CAS Number | 52795-01-4 |
|---|---|
| SMILES | C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4C[C@@H](C(C45[C@@H]([C@H]3O)OC(O5)(C)C)(C)C)O)(C)O)O |
Product Overview
5,6-O-Isopropylidene-dihydrolyoniol-B (CAS 52795-01-4), with molecular formula C23H38O6 and molecular weight 410.27 g/mol. IUPAC: (2S,3R,9S,11S,12R,13R,16S,17R)-5,5,8,8,12,17-hexamethyl-4,6-dioxapentacyclo[14.2.1.01,13.03,7.07,11]nonadecane-2,9,12,17-tetrol.
Chemical Property Profile of 5,6-O-Isopropylidene-dihydrolyoniol-B
Property Insights of 5,6-O-Isopropylidene-dihydrolyoniol-B
The XLogP value of 1.9666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-O-Isopropylidene-dihydrolyoniol-B. The TPSA of 99.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-O-Isopropylidene-dihydrolyoniol-B. Following Lipinski's Rule of Five, 5,6-O-Isopropylidene-dihydrolyoniol-B has 4 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 5,6-O-Isopropylidene-dihydrolyoniol-B?
The CAS number of 5,6-O-Isopropylidene-dihydrolyoniol-B is 52795-01-4.
What is the molecular formula of 5,6-O-Isopropylidene-dihydrolyoniol-B?
The molecular formula of 5,6-O-Isopropylidene-dihydrolyoniol-B is C23H38O6.
What is the molecular weight of 5,6-O-Isopropylidene-dihydrolyoniol-B?
The molecular weight of 5,6-O-Isopropylidene-dihydrolyoniol-B is 410.27 g/mol.
Where can I buy 5,6-O-Isopropylidene-dihydrolyoniol-B?
You can request a quote for 5,6-O-Isopropylidene-dihydrolyoniol-B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-O-Isopropylidene-dihydrolyoniol-B?
Yes, KEHONG BIO provides custom synthesis services for 5,6-O-Isopropylidene-dihydrolyoniol-B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.