3-Hydroxy-2-(morpholin-4-yl)androstan-17-one
TL;DR: 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one (CAS 52-72-2) is a chemical compound with molecular formula C23H37NO3 and molecular weight 375.28 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)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Also Known As: Rocuronium Impurity 36, Rocuronium Bromide Impurity 35, KST-1A5537, 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one, J2.343.143B
| Molecular Formula | C23H37NO3 |
|---|---|
| Molecular Weight | 375.28 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.27734 |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 52-72-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C |
| InChIKey | KFWLDVAUZFLXMB-UZBJCSTBSA-N |
Product Overview
3-Hydroxy-2-(morpholin-4-yl)androstan-17-one (CAS 52-72-2), with molecular formula C23H37NO3 and molecular weight 375.28 g/mol. IUPAC: (2S,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one
Property Insights of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one
The XLogP value of 3.1 indicates that 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one 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 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one?
The CAS number of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one is 52-72-2.
What is the molecular formula of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one?
The molecular formula of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one is C23H37NO3.
What is the molecular weight of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one?
The molecular weight of 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one is 375.28 g/mol.
Where can I buy 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one?
You can request a quote for 3-Hydroxy-2-(morpholin-4-yl)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 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(morpholin-4-yl)androstan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.