5-(4-Chlorobenzyl)-6-aminouracil
TL;DR: 5-(4-Chlorobenzyl)-6-aminouracil (CAS 7698-90-0) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: 5-Clau, 5-(p-Chlorobenzyl)-6-aminouracil, 5-(4-Chlorobenzyl)-6-aminouracil, 6-amino-5-(4-chlorobenzyl)pyrimidine-2,4(1h,3h)-dione, 6-amino-5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 7698-90-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(NC(=O)NC2=O)N)Cl |
| InChIKey | NEZKNLMSEQZXFW-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorobenzyl)-6-aminouracil (CAS 7698-90-0), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 6-amino-5-[(4-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4-Chlorobenzyl)-6-aminouracil
Property Insights of 5-(4-Chlorobenzyl)-6-aminouracil
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorobenzyl)-6-aminouracil. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorobenzyl)-6-aminouracil. Following Lipinski's Rule of Five, 5-(4-Chlorobenzyl)-6-aminouracil has 3 hydrogen bond donor(s) and 3 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-(4-Chlorobenzyl)-6-aminouracil?
The CAS number of 5-(4-Chlorobenzyl)-6-aminouracil is 7698-90-0.
What is the molecular formula of 5-(4-Chlorobenzyl)-6-aminouracil?
The molecular formula of 5-(4-Chlorobenzyl)-6-aminouracil is C11H10ClN3O2.
What is the molecular weight of 5-(4-Chlorobenzyl)-6-aminouracil?
The molecular weight of 5-(4-Chlorobenzyl)-6-aminouracil is 251.05 g/mol.
Where can I buy 5-(4-Chlorobenzyl)-6-aminouracil?
You can request a quote for 5-(4-Chlorobenzyl)-6-aminouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorobenzyl)-6-aminouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorobenzyl)-6-aminouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.