(11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al
TL;DR: (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al (CAS 80115-54-4) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
Also Known As: 19-Noraldosterone, (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde, 11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al, 11beta,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al, 19-Norpregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11beta)-
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 80115-54-4 |
|---|---|
| SMILES | C1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H](C2)O)C=O)C(=O)CO |
| InChIKey | BIDXSZCVYXAGCG-CRGXURCLSA-N |
Product Overview
(11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al (CAS 80115-54-4), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde.
Chemical Property Profile of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al
Property Insights of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al. Following Lipinski's Rule of Five, (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al has 2 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 (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al?
The CAS number of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al is 80115-54-4.
What is the molecular formula of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al?
The molecular formula of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al is C20H26O5.
What is the molecular weight of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al?
The molecular weight of (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al is 346.18 g/mol.
Where can I buy (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al?
You can request a quote for (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al?
Yes, KEHONG BIO provides custom synthesis services for (11beta)-11,21-Dihydroxy-3,20-dioxo-19-norpregn-4-en-18-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.