2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)
TL;DR: 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) (CAS 142546-49-4) is a chemical compound with molecular formula C28H39NO4 and molecular weight 453.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3aS,3bS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl] 2-morpholin-4-ylacetate
Also Known As: 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate), A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(4-morpholineacetate), (2R,3aS,3bS)-2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl (morpholin-4-yl)acetate, [(2R,3aS,3bS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl] 2-morpholin-4-ylacetate, 2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl (morpholin-4-yl)acetate
| Molecular Formula | C28H39NO4 |
|---|---|
| Molecular Weight | 453.29 g/mol |
| LogP | 3.2507 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.2879 |
| Heavy Atoms | 33 |
| Complexity | 883.3087 |
Chemical Identifiers
| CAS Number | 142546-49-4 |
|---|---|
| SMILES | C[C@]12C[C@](CC1CCC3[C@@H]2CCC4(C3CCC4(C#C)O)C)(C#C)OC(=O)CN5CCOCC5 |
Product Overview
2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) (CAS 142546-49-4), with molecular formula C28H39NO4 and molecular weight 453.29 g/mol. IUPAC: [(2R,3aS,3bS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl] 2-morpholin-4-ylacetate.
Chemical Property Profile of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)
Property Insights of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)
The XLogP value of 3.2507 indicates that 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) has 1 hydrogen bond donor(s) and 5 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 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)?
The CAS number of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) is 142546-49-4.
What is the molecular formula of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)?
The molecular formula of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) is C28H39NO4.
What is the molecular weight of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)?
The molecular weight of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) is 453.29 g/mol.
Where can I buy 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)?
You can request a quote for 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.