3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one
TL;DR: 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one (CAS 32003-22-8) is a chemical compound with molecular formula C27H45NO4 and molecular weight 447.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-17-[(1S)-1-[(2S,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
Also Known As: Deacetylsolaphyllidine, Desacetylsolaphyllidine, KST-1A3764, (3S,5R,8R,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-17-[(1S)-1-[(2S,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one, 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one
| Molecular Formula | C27H45NO4 |
|---|---|
| Molecular Weight | 447.33 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.33487 |
| Heavy Atoms | 32 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 32003-22-8 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5=O)O)C)C)O)O |
| InChIKey | PTLHVDMORFDUBF-BPKDJAQKSA-N |
Product Overview
3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one (CAS 32003-22-8), with molecular formula C27H45NO4 and molecular weight 447.33 g/mol. IUPAC: (3S,5R,8R,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-17-[(1S)-1-[(2S,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one.
Chemical Property Profile of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one
Property Insights of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one
The XLogP value of 4.0 indicates that 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one. Following Lipinski's Rule of Five, 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one has 4 hydrogen bond donor(s) and 5 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 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one?
The CAS number of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one is 32003-22-8.
What is the molecular formula of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one?
The molecular formula of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one is C27H45NO4.
What is the molecular weight of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one?
The molecular weight of 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one is 447.33 g/mol.
Where can I buy 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one?
You can request a quote for 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.