(2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)
TL;DR: (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) (CAS 142546-47-2) is a chemical compound with molecular formula C29H41NO3 and molecular weight 451.31 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-piperidin-1-ylacetate
Also Known As: (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate), A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(1-piperidineacetate), (2-beta,5-alpha,17-alpha)-, [(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-piperidin-1-ylacetate, A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(1-piperidineacetate), (2-b eta,5-alpha,17-alpha)-, (2R,3aS,3bS)-2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl (piperidin-1-yl)acetate
| Molecular Formula | C29H41NO3 |
|---|---|
| Molecular Weight | 451.31 g/mol |
| LogP | 4.4044 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.30865 |
| Heavy Atoms | 33 |
| Complexity | 880.2783 |
Chemical Identifiers
| CAS Number | 142546-47-2 |
|---|---|
| SMILES | C[C@]12C[C@](CC1CCC3[C@@H]2CCC4(C3CCC4(C#C)O)C)(C#C)OC(=O)CN5CCCCC5 |
Product Overview
(2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) (CAS 142546-47-2), with molecular formula C29H41NO3 and molecular weight 451.31 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-piperidin-1-ylacetate.
Chemical Property Profile of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)
Property Insights of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)
The XLogP value of 4.4044 indicates that (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) 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 (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)?
The CAS number of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) is 142546-47-2.
What is the molecular formula of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)?
The molecular formula of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) is C29H41NO3.
What is the molecular weight of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)?
The molecular weight of (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) is 451.31 g/mol.
Where can I buy (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate)?
You can request a quote for (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) 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 2-(1-piperidineacetate)?
Yes, KEHONG BIO provides custom synthesis services for (2-beta,5-alpha,17-alpha)-2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(1-piperidineacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.