![1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) structure](/static/products/7823/782390-23-2.webp)
1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)
TL;DR: 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) (CAS 782390-23-2) is a chemical compound with molecular formula C35H60N2O4+2 and molecular weight 572.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium), [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, 3alpha,16beta-Bis(acetyloxy)-2beta,17beta-bis(1-methylpiperidin-1-ium-1-yl)-5alpha-androstane
| Molecular Formula | C35H60N2O4+2 |
|---|---|
| Molecular Weight | 572.46 g/mol |
| LogP | 6.1105 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 572.4553 |
| Heavy Atoms | 41 |
| Complexity | 1002.1321 |
Chemical Identifiers
| CAS Number | 782390-23-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5[N+]6(CCCCC6)C)OC(=O)C)C |
Product Overview
1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) (CAS 782390-23-2), with molecular formula C35H60N2O4+2 and molecular weight 572.46 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)
Property Insights of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)
The XLogP value of 6.1105 indicates that 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) has 0 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 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)?
The CAS number of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) is 782390-23-2.
What is the molecular formula of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)?
The molecular formula of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) is C35H60N2O4+2.
What is the molecular weight of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)?
The molecular weight of 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) is 572.46 g/mol.
Where can I buy 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)?
You can request a quote for 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.