3,20-Dioxopregna-1,4-diene-2-carbaldehyde
TL;DR: 3,20-Dioxopregna-1,4-diene-2-carbaldehyde (CAS 124596-89-0) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carbaldehyde
Also Known As: 3,20-dioxopregna-1,4-diene-2-carbaldehyde, Pregna-1,4-diene-2-carboxaldehyde,3,20-dioxo- (7CI,8CI), (8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-6,7,8, (8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carbaldehyde
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 124596-89-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C=O)C |
| InChIKey | OCVPDTVTUBHZET-KPYMMKSZSA-N |
Product Overview
3,20-Dioxopregna-1,4-diene-2-carbaldehyde (CAS 124596-89-0), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: (8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carbaldehyde.
Chemical Property Profile of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde
Property Insights of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde
The XLogP value of 3.7 indicates that 3,20-Dioxopregna-1,4-diene-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 3,20-Dioxopregna-1,4-diene-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,20-Dioxopregna-1,4-diene-2-carbaldehyde 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 3,20-Dioxopregna-1,4-diene-2-carbaldehyde?
The CAS number of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde is 124596-89-0.
What is the molecular formula of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde?
The molecular formula of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde is C22H28O3.
What is the molecular weight of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde?
The molecular weight of 3,20-Dioxopregna-1,4-diene-2-carbaldehyde is 340.20 g/mol.
Where can I buy 3,20-Dioxopregna-1,4-diene-2-carbaldehyde?
You can request a quote for 3,20-Dioxopregna-1,4-diene-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,20-Dioxopregna-1,4-diene-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,20-Dioxopregna-1,4-diene-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.