RefChem:1096284
TL;DR: RefChem:1096284 (CAS 14668-11-2) is a chemical compound with molecular formula C29H49NO5 and molecular weight 491.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,10S,13S,17S)-2-acetyloxy-10,13-dimethyl-3-(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-17-yl] acetate hydroxide
Also Known As: 2-beta,17-beta-Diacetoxy-3-alpha-piperidino-5-alpha-androstane methohydroxide, Piperidinium, 1-(2-beta,17-beta-dihydroxy-5-alpha-androstan-3-alpha-yl)-1-methyl-, hydroxide, diacetate, 2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane hydroxide, (8xi,9xi,14xi)-2beta,17beta-Bis(acetyloxy)-3alpha-(1-methylpiperidin-1-ium-1-yl)-5alpha-androstane hydroxide, [(2S,3S,5S,10S,13S,17S)-2-acetyloxy-10,13-dimethyl-3-(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-17-yl] acetate hydroxide
| Molecular Formula | C29H49NO5 |
|---|---|
| Molecular Weight | 491.36 g/mol |
| LogP | 5.3247 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.36108 |
| Heavy Atoms | 35 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 14668-11-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)[N+]5(CCCCC5)C)OC(=O)C)C)C.[OH-] |
| InChIKey | FPLRJDDXOOASND-IZSYVXBHSA-M |
Product Overview
RefChem:1096284 (CAS 14668-11-2), with molecular formula C29H49NO5 and molecular weight 491.36 g/mol. IUPAC: [(2S,3S,5S,10S,13S,17S)-2-acetyloxy-10,13-dimethyl-3-(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-17-yl] acetate hydroxide.
Chemical Property Profile of RefChem:1096284
Property Insights of RefChem:1096284
The XLogP value of 5.3247 indicates that RefChem:1096284 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, RefChem:1096284 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096284 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096284?
The CAS number of RefChem:1096284 is 14668-11-2.
What is the molecular formula of RefChem:1096284?
The molecular formula of RefChem:1096284 is C29H49NO5.
What is the molecular weight of RefChem:1096284?
The molecular weight of RefChem:1096284 is 491.36 g/mol.
Where can I buy RefChem:1096284?
You can request a quote for RefChem:1096284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096284?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.