Stigmast-4-ene-3,6-dione
TL;DR: Stigmast-4-ene-3,6-dione (CAS 57458-57-8) is a chemical compound with molecular formula C29H46O2 and molecular weight 426.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Also Known As: Stigmast-4-ene-3,6-dione, stigmast-4-en-3,6-dione, 3,6-dioxostigmast-4-ene, Stigmast-4-en-3,6-dion, stigmasta-4-ene-3,6-dione
| Molecular Formula | C29H46O2 |
|---|---|
| Molecular Weight | 426.35 g/mol |
| LogP | 7.412 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.3498 |
| Heavy Atoms | 31 |
| Complexity | 747.83594 |
Chemical Identifiers
| CAS Number | 57458-57-8 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C)C(C)C |
Product Overview
Stigmast-4-ene-3,6-dione (CAS 57458-57-8), with molecular formula C29H46O2 and molecular weight 426.35 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione.
Chemical Property Profile of Stigmast-4-ene-3,6-dione
Property Insights of Stigmast-4-ene-3,6-dione
The XLogP value of 7.412 indicates that Stigmast-4-ene-3,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Stigmast-4-ene-3,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stigmast-4-ene-3,6-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stigmast-4-ene-3,6-dione?
The CAS number of Stigmast-4-ene-3,6-dione is 57458-57-8.
What is the molecular formula of Stigmast-4-ene-3,6-dione?
The molecular formula of Stigmast-4-ene-3,6-dione is C29H46O2.
What is the molecular weight of Stigmast-4-ene-3,6-dione?
The molecular weight of Stigmast-4-ene-3,6-dione is 426.35 g/mol.
Where can I buy Stigmast-4-ene-3,6-dione?
You can request a quote for Stigmast-4-ene-3,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stigmast-4-ene-3,6-dione?
Yes, KEHONG BIO provides custom synthesis services for Stigmast-4-ene-3,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.