17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime
TL;DR: 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime (CAS 26698-66-8) is a chemical compound with molecular formula C31H41NO3 and molecular weight 475.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
Also Known As: 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime, [(3Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate, 1-Adamantanecarboxylic acid, ester with 17-hydroxy-19-nor-17alpha-pregn-4-en-20-yn-3-one oxime, 19-Nor-17-alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, 1-adamantanecarboxylate (ester), oxime, 19-Norpregn-4-en-20-yn-3-one, 17-((tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)oxy)-, oxime, (17alpha)-
| Molecular Formula | C31H41NO3 |
|---|---|
| Molecular Weight | 475.31 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.30865 |
| Heavy Atoms | 35 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 26698-66-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=NO)CC[C@H]37 |
| InChIKey | GWXUKFSMEODGEU-MNUJUNGVSA-N |
Product Overview
17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime (CAS 26698-66-8), with molecular formula C31H41NO3 and molecular weight 475.31 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate.
Chemical Property Profile of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime
Property Insights of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime
The XLogP value of 6.4 indicates that 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime?
The CAS number of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime is 26698-66-8.
What is the molecular formula of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime?
The molecular formula of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime is C31H41NO3.
What is the molecular weight of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime?
The molecular weight of 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime is 475.31 g/mol.
Where can I buy 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime?
You can request a quote for 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one 1-adamantanecarboxylate (ester) oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.