3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione
TL;DR: 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione (CAS 862-38-4) is a chemical compound with molecular formula C25H39NO5 and molecular weight 433.28 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,16S,17S)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-16-morpholin-4-yl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: KST-1A8935, 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione, 3-beta,17-Dihydroxy-16-beta-morpholino-5-alpha-pregnane-11,20-dione, (3, A,5
| Molecular Formula | C25H39NO5 |
|---|---|
| Molecular Weight | 433.28 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.28284 |
| Heavy Atoms | 31 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 862-38-4 |
|---|---|
| SMILES | CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)N5CCOCC5)O |
| InChIKey | QVYRIDFRDMXCJB-NBUDFYBCSA-N |
Product Overview
3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione (CAS 862-38-4), with molecular formula C25H39NO5 and molecular weight 433.28 g/mol. IUPAC: (3S,5S,8S,9S,10S,13S,14S,16S,17S)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-16-morpholin-4-yl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione
Property Insights of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione. Following Lipinski's Rule of Five, 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione has 2 hydrogen bond donor(s) and 6 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 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione?
The CAS number of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione is 862-38-4.
What is the molecular formula of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione?
The molecular formula of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione is C25H39NO5.
What is the molecular weight of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione?
The molecular weight of 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione is 433.28 g/mol.
Where can I buy 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione?
You can request a quote for 3,17-Dihydroxy-16-(morpholin-4-yl)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 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.