![[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate structure](/static/products/7645/764597-85-5.webp)
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate
TL;DR: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate (CAS 764597-85-5) is a chemical compound with molecular formula C39H68N2O4+2 and molecular weight 628.52 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)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate
Also Known As: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate|Piperidinium, 1,1'-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(1-oxobutoxy)androstane-2,16-diyl]bis[1-methyl-|Piperidinium, 1,1a(2)-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(1-oxobutoxy)androstane-2,16-diyl]bis[1-methyl-
| Molecular Formula | C39H68N2O4+2 |
|---|---|
| Molecular Weight | 628.52 g/mol |
| LogP | 7.6709 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 628.5179 |
| Heavy Atoms | 45 |
| Complexity | 1065.2593 |
Chemical Identifiers
| CAS Number | 764597-85-5 |
|---|---|
| SMILES | CCCC(=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]5OC(=O)CCC)[N+]6(CCCCC6)C)C |
Product Overview
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate (CAS 764597-85-5), with molecular formula C39H68N2O4+2 and molecular weight 628.52 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate.
Chemical Property Profile of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate
Property Insights of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate
The XLogP value of 7.6709 indicates that [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate 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 [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate?
The CAS number of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate is 764597-85-5.
What is the molecular formula of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate?
The molecular formula of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate is C39H68N2O4+2.
What is the molecular weight of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate?
The molecular weight of [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate is 628.52 g/mol.
Where can I buy [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate?
You can request a quote for [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate?
Yes, KEHONG BIO provides custom synthesis services for [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-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] butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.