5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione (CAS 64226-68-2) is a chemical compound with molecular formula C25H33FN2O3 and molecular weight 428.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-5-fluoropyrimidine-2,4-dione
Also Known As: 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione, 1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-5-fluoropyrimidine-2,4-dione
| Molecular Formula | C25H33FN2O3 |
|---|---|
| Molecular Weight | 428.25 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.24753 |
| Heavy Atoms | 31 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 64226-68-2 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N5C=C(C(=O)NC5=O)F)C)C |
| InChIKey | LKABFSOIFGBYOM-UHFFFAOYSA-N |
Product Overview
5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione (CAS 64226-68-2), with molecular formula C25H33FN2O3 and molecular weight 428.25 g/mol. IUPAC: 1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-5-fluoropyrimidine-2,4-dione.
Chemical Property Profile of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 4.2 indicates that 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 4 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 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione is 64226-68-2.
What is the molecular formula of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione is C25H33FN2O3.
What is the molecular weight of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione is 428.25 g/mol.
Where can I buy 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-1-(20-oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.