Ergosta-5,23-dien-3beta-ol
TL;DR: Ergosta-5,23-dien-3beta-ol (CAS 72962-53-9) 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.
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Ergosta-5,23-dien-3beta-ol, 24-methylcholesta-5,23-dien-3beta-ol, (3I(2))-Ergosta-5,23-dien-3-ol
| Molecular Formula | C28H46O |
|---|---|
| Molecular Weight | 398.35 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.35486 |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 72962-53-9 |
|---|---|
| SMILES | C[C@H](CC=C(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | CRJHBQFJDHZHGO-PXBBAZSNSA-N |
Product Overview
Ergosta-5,23-dien-3beta-ol (CAS 72962-53-9), with molecular formula C28H46O and molecular weight 398.35 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Ergosta-5,23-dien-3beta-ol
Property Insights of Ergosta-5,23-dien-3beta-ol
The XLogP value of 8.3 indicates that Ergosta-5,23-dien-3beta-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-5,23-dien-3beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergosta-5,23-dien-3beta-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-5,23-dien-3beta-ol?
The CAS number of Ergosta-5,23-dien-3beta-ol is 72962-53-9.
What is the molecular formula of Ergosta-5,23-dien-3beta-ol?
The molecular formula of Ergosta-5,23-dien-3beta-ol is C28H46O.
What is the molecular weight of Ergosta-5,23-dien-3beta-ol?
The molecular weight of Ergosta-5,23-dien-3beta-ol is 398.35 g/mol.
Where can I buy Ergosta-5,23-dien-3beta-ol?
You can request a quote for Ergosta-5,23-dien-3beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosta-5,23-dien-3beta-ol?
Yes, KEHONG BIO provides custom synthesis services for Ergosta-5,23-dien-3beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.