(20S)-3I+/--Amino-5alpha-pregnane-17,20-diol
TL;DR: (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol (CAS 82870-71-1) is a chemical compound with molecular formula C21H37NO2 and molecular weight 335.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,8R,9S,10S,13S,14S,17R)-3-amino-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol, (3R,5S,8R,9S,10S,13S,14S,17R)-3-amino-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
| Molecular Formula | C21H37NO2 |
|---|---|
| Molecular Weight | 335.28 g/mol |
| LogP | 3.4683 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.28244 |
| Heavy Atoms | 24 |
| Complexity | 508.0672 |
Chemical Identifiers
| CAS Number | 82870-71-1 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[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)O |
Product Overview
(20S)-3I+/--Amino-5alpha-pregnane-17,20-diol (CAS 82870-71-1), with molecular formula C21H37NO2 and molecular weight 335.28 g/mol. IUPAC: (3R,5S,8R,9S,10S,13S,14S,17R)-3-amino-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol
Property Insights of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol
The XLogP value of 3.4683 indicates that (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol. Following Lipinski's Rule of Five, (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol has 3 hydrogen bond donor(s) and 3 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 (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol?
The CAS number of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol is 82870-71-1.
What is the molecular formula of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol?
The molecular formula of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol is C21H37NO2.
What is the molecular weight of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol?
The molecular weight of (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol is 335.28 g/mol.
Where can I buy (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol?
You can request a quote for (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol?
Yes, KEHONG BIO provides custom synthesis services for (20S)-3I+/--Amino-5alpha-pregnane-17,20-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.