Nepedinol
TL;DR: Nepedinol (CAS 5188-52-3) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aR,5aR,5bR,7aS,9S,11R,11aS,11bS,12R,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11,12-triol
Also Known As: nepedinol, (-)-Nepedinol, Lup-20(30)-ene-1,3,11,29-tetrol, Lup-20(30)-ene-1beta,3beta,11alpha,29-tetrol, Lup-20(30)-ene-1,3,11,29-tetrol, (1beta,3beta,11alpha)-
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 5188-52-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@@H]1[C@H]3C[C@H]([C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5(C)C)O)O)C)C)O)C(=C)CO |
| InChIKey | RGQISYCPICNWAQ-AMZTXIEOSA-N |
Product Overview
Nepedinol (CAS 5188-52-3), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: (1R,3aR,5aR,5bR,7aS,9S,11R,11aS,11bS,12R,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11,12-triol.
Chemical Property Profile of Nepedinol
Property Insights of Nepedinol
The XLogP value of 6.3 indicates that Nepedinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Nepedinol. Following Lipinski's Rule of Five, Nepedinol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nepedinol?
The CAS number of Nepedinol is 5188-52-3.
What is the molecular formula of Nepedinol?
The molecular formula of Nepedinol is C30H50O4.
What is the molecular weight of Nepedinol?
The molecular weight of Nepedinol is 474.37 g/mol.
Where can I buy Nepedinol?
You can request a quote for Nepedinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nepedinol?
Yes, KEHONG BIO provides custom synthesis services for Nepedinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.