18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-
TL;DR: 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- (CAS 86679-34-7) is a chemical compound with molecular formula C26H36O3 and molecular weight 396.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Also Known As: 3,4-Di-O-galloylquinic acid, 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-, [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pentanoate
| Molecular Formula | C26H36O3 |
|---|---|
| Molecular Weight | 396.27 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.26645 |
| Heavy Atoms | 29 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 86679-34-7 |
|---|---|
| SMILES | CCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)CC)C#C |
| InChIKey | JCICSEISKMFYLJ-UKNJCJGYSA-N |
Product Overview
18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- (CAS 86679-34-7), with molecular formula C26H36O3 and molecular weight 396.27 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pentanoate.
Chemical Property Profile of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-
Property Insights of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-
The XLogP value of 5.2 indicates that 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-?
The CAS number of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- is 86679-34-7.
What is the molecular formula of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-?
The molecular formula of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- is C26H36O3.
What is the molecular weight of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-?
The molecular weight of 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- is 396.27 g/mol.
Where can I buy 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-?
You can request a quote for 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-((1-oxopentyl)oxy)-, (17alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.