Pregn-5-ene-3,20-dione
TL;DR: Pregn-5-ene-3,20-dione (CAS 1236-09-5) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Pregn-5-ene-3,20-dione, 5-Pregnene-3,20-dione, Isoprogesterone, DELTA5-Progesterone, 5-Pregnen-3,20-dione
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 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 | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 1236-09-5 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C |
| InChIKey | MNRHZPCIEGLWGK-LEKSSAKUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregn-5-ene-3,20-dione (CAS 1236-09-5), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregn-5-ene-3,20-dione
Property Insights of Pregn-5-ene-3,20-dione
The XLogP value of 3.9 indicates that Pregn-5-ene-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, Pregn-5-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregn-5-ene-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 Pregn-5-ene-3,20-dione?
The CAS number of Pregn-5-ene-3,20-dione is 1236-09-5.
What is the molecular formula of Pregn-5-ene-3,20-dione?
The molecular formula of Pregn-5-ene-3,20-dione is C21H30O2.
What is the molecular weight of Pregn-5-ene-3,20-dione?
The molecular weight of Pregn-5-ene-3,20-dione is 314.22 g/mol.
Where can I buy Pregn-5-ene-3,20-dione?
You can request a quote for Pregn-5-ene-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 Pregn-5-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for Pregn-5-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.