(1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate
TL;DR: (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate (CAS 35189-28-7) is a chemical compound with molecular formula C23H31NO3 and molecular weight 369.23 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-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: NORGESTIMATE, Norgestimatum, Norgestimato, Ortho-Cyclen, Norgestimate CRS
| Molecular Formula | C23H31NO3 |
|---|---|
| Molecular Weight | 369.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.2304 |
| Heavy Atoms | 27 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 35189-28-7 |
|---|---|
| SMILES | CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=CC(=NO)CC[C@H]34 |
| InChIKey | KIQQMECNKUGGKA-GOMYTPFNSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate (CAS 35189-28-7), with molecular formula C23H31NO3 and molecular weight 369.23 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate
Property Insights of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate
The XLogP value of 4.1 indicates that (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate?
The CAS number of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate is 35189-28-7.
What is the molecular formula of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate?
The molecular formula of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate is C23H31NO3.
What is the molecular weight of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate?
The molecular weight of (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate is 369.23 g/mol.
Where can I buy (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate?
You can request a quote for (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate?
Yes, KEHONG BIO provides custom synthesis services for (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.