N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CAS 887899-08-3) is a chemical compound with molecular formula C18H12FN3O5 and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide, N-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(benzo[d][1,3]dioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2H-1,3-benzodioxol-5-yl)-3-(p-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C18H12FN3O5 |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 1.6459 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.0761 |
| Heavy Atoms | 27 |
| Complexity | 1150.894 |
Chemical Identifiers
| CAS Number | 887899-08-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CNC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CAS 887899-08-3), with molecular formula C18H12FN3O5 and molecular weight 369.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
The XLogP value of 1.6459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has 2 hydrogen bond donor(s) and 5 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 N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is 887899-08-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is C18H12FN3O5.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is 369.08 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.