(3alpha,5alpha,20S)-3-Aminopregnan-20-ol
TL;DR: (3alpha,5alpha,20S)-3-Aminopregnan-20-ol (CAS 474-44-2) is a chemical compound with molecular formula C21H37NO and molecular weight 319.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
Also Known As: Funtumidine, Funtumidin, 3-alpha-Aminoallopregnan-20-ol, (20S)-3alpha-Amino-5alpha-pregnan-20-ol, KST-1A5122
| Molecular Formula | C21H37NO |
|---|---|
| Molecular Weight | 319.29 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.2875 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 474-44-2 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C)O |
| InChIKey | VIQFMADXQMGZER-CGVINKDUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3alpha,5alpha,20S)-3-Aminopregnan-20-ol (CAS 474-44-2), with molecular formula C21H37NO and molecular weight 319.29 g/mol. IUPAC: (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol.
Chemical Property Profile of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol
Property Insights of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol
The XLogP value of 4.9 indicates that (3alpha,5alpha,20S)-3-Aminopregnan-20-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, (3alpha,5alpha,20S)-3-Aminopregnan-20-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,5alpha,20S)-3-Aminopregnan-20-ol has 2 hydrogen bond donor(s) and 2 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 (3alpha,5alpha,20S)-3-Aminopregnan-20-ol?
The CAS number of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol is 474-44-2.
What is the molecular formula of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol?
The molecular formula of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol is C21H37NO.
What is the molecular weight of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol?
The molecular weight of (3alpha,5alpha,20S)-3-Aminopregnan-20-ol is 319.29 g/mol.
Where can I buy (3alpha,5alpha,20S)-3-Aminopregnan-20-ol?
You can request a quote for (3alpha,5alpha,20S)-3-Aminopregnan-20-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,5alpha,20S)-3-Aminopregnan-20-ol?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5alpha,20S)-3-Aminopregnan-20-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.