6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
TL;DR: 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 554423-80-2) is a chemical compound with molecular formula C13H12ClN3O3 and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
Also Known As: 6-amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, SDCCGSBI-0661098.P001, 6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione, 6-Amino-1-benzyl-5-(2-chloro-acetyl)-1H-pyrimidine-2,4-dione
| Molecular Formula | C13H12ClN3O3 |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 0.5886 |
| Topological Polar Surface Area | 97.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.05673 |
| Heavy Atoms | 20 |
| Complexity | 749.6921 |
Chemical Identifiers
| CAS Number | 554423-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)C(=O)CCl)N |
Product Overview
6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 554423-80-2), with molecular formula C13H12ClN3O3 and molecular weight 293.06 g/mol. IUPAC: 6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione.
Chemical Property Profile of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Property Insights of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
The XLogP value of 0.5886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione. The TPSA of 97.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione 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 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The CAS number of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is 554423-80-2.
What is the molecular formula of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The molecular formula of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is C13H12ClN3O3.
What is the molecular weight of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The molecular weight of 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is 293.06 g/mol.
Where can I buy 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
You can request a quote for 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-benzyl-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.