Pregna-4,16-diene-3,20-dione
TL;DR: Pregna-4,16-diene-3,20-dione (CAS 1096-38-4) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 16-Dehydroprogesterone, Pregna-4,16-diene-3,20-dione, 16,17-Didehydroprogesterone, 3,20-Dioxopregna-4,16-diene, D16-Progesterone
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 640.0 |
| Melting Point | 185 - 187 °C |
Chemical Identifiers
| CAS Number | 1096-38-4 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| InChIKey | VRRHHTISESGZFN-RKFFNLMFSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregna-4,16-diene-3,20-dione (CAS 1096-38-4), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: (8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregna-4,16-diene-3,20-dione
Property Insights of Pregna-4,16-diene-3,20-dione
The XLogP value of 3.9 indicates that Pregna-4,16-diene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Pregna-4,16-diene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregna-4,16-diene-3,20-dione has 0 hydrogen bond donor(s) and 2 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 Pregna-4,16-diene-3,20-dione?
The CAS number of Pregna-4,16-diene-3,20-dione is 1096-38-4.
What is the molecular formula of Pregna-4,16-diene-3,20-dione?
The molecular formula of Pregna-4,16-diene-3,20-dione is C21H28O2.
What is the molecular weight of Pregna-4,16-diene-3,20-dione?
The molecular weight of Pregna-4,16-diene-3,20-dione is 312.21 g/mol.
Where can I buy Pregna-4,16-diene-3,20-dione?
You can request a quote for Pregna-4,16-diene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-4,16-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for Pregna-4,16-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.