Dehydroergosterol
TL;DR: Dehydroergosterol (CAS 516-85-8) is a chemical compound with molecular formula C28H42O and molecular weight 394.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Dehydroergosterol, Ergosta-5,7,9(11),22-tetren-3beta-ol, Ergosta-5,7,9(11),22-tetraen-3beta-ol, (1R,3aR,7S,9aS,11aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C28H42O |
|---|---|
| Molecular Weight | 394.32 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.32358 |
| Heavy Atoms | 29 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 516-85-8 |
|---|---|
| SMILES | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | QSVJYFLQYMVBDR-DWXTZQHLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dehydroergosterol (CAS 516-85-8), with molecular formula C28H42O and molecular weight 394.32 g/mol. IUPAC: (3S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Dehydroergosterol
Property Insights of Dehydroergosterol
The XLogP value of 6.9 indicates that Dehydroergosterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Dehydroergosterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydroergosterol 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 Dehydroergosterol?
The CAS number of Dehydroergosterol is 516-85-8.
What is the molecular formula of Dehydroergosterol?
The molecular formula of Dehydroergosterol is C28H42O.
What is the molecular weight of Dehydroergosterol?
The molecular weight of Dehydroergosterol is 394.32 g/mol.
Where can I buy Dehydroergosterol?
You can request a quote for Dehydroergosterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroergosterol?
Yes, KEHONG BIO provides custom synthesis services for Dehydroergosterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.