3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
TL;DR: 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione (CAS 6650-93-7) is a chemical compound with molecular formula C25H39NO2 and molecular weight 385.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Also Known As: 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione, A-(1-pyrrolidinyl)-5, A-pregnane-11,20-dione, J2.791.533G, 3beta-Pyrrolizino-5alpha-pregnane-11,20-dione
| Molecular Formula | C25H39NO2 |
|---|---|
| Molecular Weight | 385.30 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.29807 |
| Heavy Atoms | 28 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 6650-93-7 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N5CCCC5)C)C |
| InChIKey | JYBLPRVSUYUPPM-USQBOPSSSA-N |
Product Overview
3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione (CAS 6650-93-7), with molecular formula C25H39NO2 and molecular weight 385.30 g/mol. IUPAC: (3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
Property Insights of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
The XLogP value of 4.4 indicates that 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione has 0 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 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione?
The CAS number of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione is 6650-93-7.
What is the molecular formula of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione?
The molecular formula of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione is C25H39NO2.
What is the molecular weight of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione?
The molecular weight of 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione is 385.30 g/mol.
Where can I buy 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione?
You can request a quote for 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.