Ergosta-5,7-dien-3-ol
TL;DR: Ergosta-5,7-dien-3-ol (CAS 516-79-0) is a chemical compound with molecular formula C28H46O and molecular weight 398.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Provitamin D7, Ergosta-5,7-dien-3-ol, 22,23-Dihydroergosterol, 22,23-Dihydroergosterol, non-irradiated, 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C28H46O |
|---|---|
| Molecular Weight | 398.35 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.35486 |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 516-79-0 |
|---|---|
| SMILES | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| InChIKey | ZKQRGSXITBHHPC-UHFFFAOYSA-N |
Product Overview
Ergosta-5,7-dien-3-ol (CAS 516-79-0), with molecular formula C28H46O and molecular weight 398.35 g/mol. IUPAC: 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Ergosta-5,7-dien-3-ol
Property Insights of Ergosta-5,7-dien-3-ol
The XLogP value of 8.2 indicates that Ergosta-5,7-dien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Ergosta-5,7-dien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergosta-5,7-dien-3-ol 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 Ergosta-5,7-dien-3-ol?
The CAS number of Ergosta-5,7-dien-3-ol is 516-79-0.
What is the molecular formula of Ergosta-5,7-dien-3-ol?
The molecular formula of Ergosta-5,7-dien-3-ol is C28H46O.
What is the molecular weight of Ergosta-5,7-dien-3-ol?
The molecular weight of Ergosta-5,7-dien-3-ol is 398.35 g/mol.
Where can I buy Ergosta-5,7-dien-3-ol?
You can request a quote for Ergosta-5,7-dien-3-ol 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-dien-3-ol?
Yes, KEHONG BIO provides custom synthesis services for Ergosta-5,7-dien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.