3-Hydroxydiploptene
TL;DR: 3-Hydroxydiploptene (CAS 4966-00-1) is a chemical compound with molecular formula C30H50O and molecular weight 426.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR,5aR,9S,11aS,13aS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Also Known As: Fernenol, Iaoarborinol, 3-Hydroxydiploptene, KST-1A5234, (3r,3ar,5ar,9s,11as,13as)-3a,5a,8,8,11a,13a-hexamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1h-cyclopenta[a]chrysen-9-ol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 4966-00-1 |
|---|---|
| SMILES | CC(C)[C@H]1CCC2[C@@]1(CC[C@]3([C@]2(CC=C4C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C |
| InChIKey | VWYANPOOORUCFJ-MDKQJYPSSA-N |
Product Overview
3-Hydroxydiploptene (CAS 4966-00-1), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (3R,3aR,5aR,9S,11aS,13aS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol.
Chemical Property Profile of 3-Hydroxydiploptene
Property Insights of 3-Hydroxydiploptene
The XLogP value of 9.0 indicates that 3-Hydroxydiploptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hydroxydiploptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxydiploptene has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxydiploptene?
The CAS number of 3-Hydroxydiploptene is 4966-00-1.
What is the molecular formula of 3-Hydroxydiploptene?
The molecular formula of 3-Hydroxydiploptene is C30H50O.
What is the molecular weight of 3-Hydroxydiploptene?
The molecular weight of 3-Hydroxydiploptene is 426.39 g/mol.
Where can I buy 3-Hydroxydiploptene?
You can request a quote for 3-Hydroxydiploptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxydiploptene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxydiploptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.