1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea
TL;DR: 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea (CAS 190954-83-7) is a chemical compound with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea
Also Known As: 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea, Urea, N-(4-chlorophenyl)-N'-(4,6-dimethoxy-2-pyrimidinyl)-, N-(4-Chlorophenyl)-N'-(4,6-dimethoxy-2-pyrimidinyl)urea, N-(4-Chlorophenyl)-N'-(4,6-dimethoxypyrimidin-2-yl)urea, N-(4-Chlorophenyl)-N'-(4,6-dimethoxy-2-pyrimidinyl)urea #
| Molecular Formula | C13H13ClN4O3 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.06763 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 190954-83-7 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)NC(=O)NC2=CC=C(C=C2)Cl)OC |
| InChIKey | NOVYLBWJPUXDOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea (CAS 190954-83-7), with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea.
Chemical Property Profile of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea
Property Insights of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea 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 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The CAS number of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea is 190954-83-7.
What is the molecular formula of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The molecular formula of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea is C13H13ClN4O3.
What is the molecular weight of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The molecular weight of 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea is 308.07 g/mol.
Where can I buy 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea?
You can request a quote for 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.