Stigmastadienone
TL;DR: Stigmastadienone (CAS 20817-72-5) is a chemical compound with molecular formula C29H46O and molecular weight 410.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Stigmastadienone, Stigmasta-4,22-dien-3-one, 4,22-Cholestadien-24-ethyl-3-one, B0005-144148, 17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C29H46O |
|---|---|
| Molecular Weight | 410.35 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.35486 |
| Heavy Atoms | 30 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 20817-72-5 |
|---|---|
| SMILES | CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C |
| InChIKey | MKGZDUKUQPPHFM-UHFFFAOYSA-N |
Product Overview
Stigmastadienone (CAS 20817-72-5), with molecular formula C29H46O and molecular weight 410.35 g/mol. IUPAC: 17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Stigmastadienone
Property Insights of Stigmastadienone
The XLogP value of 8.5 indicates that Stigmastadienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Stigmastadienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stigmastadienone 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 Stigmastadienone?
The CAS number of Stigmastadienone is 20817-72-5.
What is the molecular formula of Stigmastadienone?
The molecular formula of Stigmastadienone is C29H46O.
What is the molecular weight of Stigmastadienone?
The molecular weight of Stigmastadienone is 410.35 g/mol.
Where can I buy Stigmastadienone?
You can request a quote for Stigmastadienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stigmastadienone?
Yes, KEHONG BIO provides custom synthesis services for Stigmastadienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.