(2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)
TL;DR: (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) (CAS 142546-48-3) is a chemical compound with molecular formula C34H48N2O6 and molecular weight 580.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R,8aS)-2,6-diethynyl-3a,5a-dimethyl-2-(2-morpholin-4-ylacetyl)oxy-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl] 2-morpholin-4-ylacetate
Also Known As: (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate), A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis(4-morpholineacetate), (2-beta,5-alpha,17-alpha)-, (1R,3aS)-1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl bis[(morpholin-4-yl)acetate], [(6R,8aS)-2,6-diethynyl-3a,5a-dimethyl-2-(2-morpholin-4-ylacetyl)oxy-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl] 2-morpholin-4-ylacetate, 1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl bis[(morpholin-4-yl)acetate]
| Molecular Formula | C34H48N2O6 |
|---|---|
| Molecular Weight | 580.35 g/mol |
| LogP | 3.1338 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.35126 |
| Heavy Atoms | 42 |
| Complexity | 1133.8342 |
Chemical Identifiers
| CAS Number | 142546-48-3 |
|---|---|
| SMILES | CC12CCC3C([C@@H]1CC[C@]2(C#C)OC(=O)CN4CCOCC4)CCC5C3(CC(C5)(C#C)OC(=O)CN6CCOCC6)C |
Product Overview
(2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) (CAS 142546-48-3), with molecular formula C34H48N2O6 and molecular weight 580.35 g/mol. IUPAC: [(6R,8aS)-2,6-diethynyl-3a,5a-dimethyl-2-(2-morpholin-4-ylacetyl)oxy-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl] 2-morpholin-4-ylacetate.
Chemical Property Profile of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)
Property Insights of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)
The XLogP value of 3.1338 indicates that (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate). Following Lipinski's Rule of Five, (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)?
The CAS number of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) is 142546-48-3.
What is the molecular formula of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)?
The molecular formula of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) is C34H48N2O6.
What is the molecular weight of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)?
The molecular weight of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) is 580.35 g/mol.
Where can I buy (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)?
You can request a quote for (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(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-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate)?
Yes, KEHONG BIO provides custom synthesis services for (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol bis(4-morpholineacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.