(Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714232-54-9) is a chemical compound with molecular formula C19H24FN3O3 and molecular weight 361.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-6-hydroxy-5-(octan-2-yliminomethyl)pyrimidine-2,4-dione
Also Known As: (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-fluorophenyl)-5-[(octan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-fluorophenyl)-5-[(octan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-(4-fluorophenyl)-6-hydroxy-5-[(octan-2-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C19H24FN3O3 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | 3.1483 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.18018 |
| Heavy Atoms | 26 |
| Complexity | 869.07855 |
Chemical Identifiers
| CAS Number | 714232-54-9 |
|---|---|
| SMILES | CCCCCCC(C)N=CC1=C(N(C(=O)NC1=O)C2=CC=C(C=C2)F)O |
Product Overview
(Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714232-54-9), with molecular formula C19H24FN3O3 and molecular weight 361.18 g/mol. IUPAC: 1-(4-fluorophenyl)-6-hydroxy-5-(octan-2-yliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.1483 indicates that (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 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 (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 714232-54-9.
What is the molecular formula of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C19H24FN3O3.
What is the molecular weight of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 361.18 g/mol.
Where can I buy (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(4-fluorophenyl)-5-((octan-2-ylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.