Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate
TL;DR: Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate (CAS 16869-85-5) is a chemical compound with molecular formula C28H26FN3O4 and molecular weight 487.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)-N-(2-fluoroethyl)carbamate
Also Known As: Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate, benzyl N-(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)-N-(2-fluoroethyl)carbamate, Carbamic acid,(2-fluoroethyl)[1,2,3,4-tetrahydro-2,4-dioxo-1,3-bis(phenylmethyl)-5-pyrimidinyl]-,phenylmethyl ester (9CI), benzyl N-(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)-N-(2-fluoroe, benzyl(1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate
| Molecular Formula | C28H26FN3O4 |
|---|---|
| Molecular Weight | 487.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 487.19073 |
| Heavy Atoms | 36 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 16869-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)N(CCF)C(=O)OCC4=CC=CC=C4 |
| InChIKey | NMDJIKDRBARJGF-UHFFFAOYSA-N |
Product Overview
Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate (CAS 16869-85-5), with molecular formula C28H26FN3O4 and molecular weight 487.19 g/mol. IUPAC: benzyl N-(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)-N-(2-fluoroethyl)carbamate.
Chemical Property Profile of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate
Property Insights of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate
The XLogP value of 4.2 indicates that Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate. Following Lipinski's Rule of Five, Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate has 0 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 Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate?
The CAS number of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate is 16869-85-5.
What is the molecular formula of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate?
The molecular formula of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate is C28H26FN3O4.
What is the molecular weight of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate?
The molecular weight of Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate is 487.19 g/mol.
Where can I buy Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate?
You can request a quote for Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.