3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
TL;DR: 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one (CAS 13522-14-0) is a chemical compound with molecular formula C29H48N2O2 and molecular weight 456.37 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)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Also Known As: Vecuronium Bromide Impurity 7, KST-1A1206, 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one, (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one, (2
| Molecular Formula | C29H48N2O2 |
|---|---|
| Molecular Weight | 456.37 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.37158 |
| Heavy Atoms | 33 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 13522-14-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)N4CCCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C |
| InChIKey | KUCISTFXMDQUHG-XMTFRXHISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one (CAS 13522-14-0), with molecular formula C29H48N2O2 and molecular weight 456.37 g/mol. IUPAC: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
Property Insights of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
The XLogP value of 5.5 indicates that 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one has 1 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 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one?
The CAS number of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one is 13522-14-0.
What is the molecular formula of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one?
The molecular formula of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one is C29H48N2O2.
What is the molecular weight of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one?
The molecular weight of 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one is 456.37 g/mol.
Where can I buy 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one?
You can request a quote for 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.