Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-
TL;DR: Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- (CAS 82858-42-2) is a chemical compound with molecular formula C21H38ClNO2 and molecular weight 371.26 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;hydrochloride
Also Known As: (3-alpha,5-alpha,20S)-3-Aminopregnane-17,20-diol hydrochloride, (20S)-3-alpha-Amino (5-alpha) pregnane 17-alpha,20-diol hydrochloride, Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-, (20S)-3alpha-Amino-5alpha-pregnane-17,20-diol--hydrogen chloride (1/1), (20S)-3alpha-Amino-5alpha-pregnane-17,20-diol-hydrogen chloride (1:1)
| Molecular Formula | C21H38ClNO2 |
|---|---|
| Molecular Weight | 371.26 g/mol |
| LogP | 3.8901 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.2591 |
| Heavy Atoms | 25 |
| Complexity | 514.1245 |
Chemical Identifiers
| CAS Number | 82858-42-2 |
|---|---|
| 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.Cl |
Product Overview
Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- (CAS 82858-42-2), with molecular formula C21H38ClNO2 and molecular weight 371.26 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;hydrochloride.
Chemical Property Profile of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-
Property Insights of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-
The XLogP value of 3.8901 indicates that Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- 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 Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-. Following Lipinski's Rule of Five, Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- 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 Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-?
The CAS number of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- is 82858-42-2.
What is the molecular formula of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-?
The molecular formula of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- is C21H38ClNO2.
What is the molecular weight of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-?
The molecular weight of Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- is 371.26 g/mol.
Where can I buy Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-?
You can request a quote for Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)-?
Yes, KEHONG BIO provides custom synthesis services for Pregnane-17,20-diol, 3-amino-, hydrochloride, (3-alpha,5-alpha,20S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.