Ergosta-5,7,22-trien-3-one
TL;DR: Ergosta-5,7,22-trien-3-one (CAS 23454-50-4) 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.
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Isopyrocalciferon, ergosta-5,7,22-trien-3-one, Ergosta-5,7,22-trien-3-one,(22E)- (9CI), 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C28H42O |
|---|---|
| Molecular Weight | 394.32 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.32358 |
| Heavy Atoms | 29 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 23454-50-4 |
|---|---|
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(=O)C4)C)C |
| InChIKey | XEOYORLWXHMOKT-UHFFFAOYSA-N |
Product Overview
Ergosta-5,7,22-trien-3-one (CAS 23454-50-4), with molecular formula C28H42O and molecular weight 394.32 g/mol. IUPAC: 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Ergosta-5,7,22-trien-3-one
Property Insights of Ergosta-5,7,22-trien-3-one
The XLogP value of 7.1 indicates that Ergosta-5,7,22-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ergosta-5,7,22-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergosta-5,7,22-trien-3-one has 0 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 Ergosta-5,7,22-trien-3-one?
The CAS number of Ergosta-5,7,22-trien-3-one is 23454-50-4.
What is the molecular formula of Ergosta-5,7,22-trien-3-one?
The molecular formula of Ergosta-5,7,22-trien-3-one is C28H42O.
What is the molecular weight of Ergosta-5,7,22-trien-3-one?
The molecular weight of Ergosta-5,7,22-trien-3-one is 394.32 g/mol.
Where can I buy Ergosta-5,7,22-trien-3-one?
You can request a quote for Ergosta-5,7,22-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosta-5,7,22-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for Ergosta-5,7,22-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.