Stigmast-5-en-3-yl dodecanoate
TL;DR: Stigmast-5-en-3-yl dodecanoate (CAS 41005-65-6) is a chemical compound with molecular formula C41H72O2 and molecular weight 596.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
Also Known As: Stigmast-5-en-3-yl dodecanoate, SE 29:1/12:0, [17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate, [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
| Molecular Formula | C41H72O2 |
|---|---|
| Molecular Weight | 596.55 g/mol |
| LogP | 15.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 596.5532 |
| Heavy Atoms | 43 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 41005-65-6 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C |
| InChIKey | ZKAAVBQKARRBFN-UHFFFAOYSA-N |
Product Overview
Stigmast-5-en-3-yl dodecanoate (CAS 41005-65-6), with molecular formula C41H72O2 and molecular weight 596.55 g/mol. IUPAC: [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate.
Chemical Property Profile of Stigmast-5-en-3-yl dodecanoate
Property Insights of Stigmast-5-en-3-yl dodecanoate
The XLogP value of 15.1 indicates that Stigmast-5-en-3-yl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Stigmast-5-en-3-yl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stigmast-5-en-3-yl dodecanoate 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-5-en-3-yl dodecanoate?
The CAS number of Stigmast-5-en-3-yl dodecanoate is 41005-65-6.
What is the molecular formula of Stigmast-5-en-3-yl dodecanoate?
The molecular formula of Stigmast-5-en-3-yl dodecanoate is C41H72O2.
What is the molecular weight of Stigmast-5-en-3-yl dodecanoate?
The molecular weight of Stigmast-5-en-3-yl dodecanoate is 596.55 g/mol.
Where can I buy Stigmast-5-en-3-yl dodecanoate?
You can request a quote for Stigmast-5-en-3-yl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stigmast-5-en-3-yl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Stigmast-5-en-3-yl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.