N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea
TL;DR: N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea (CAS 339017-64-0) is a chemical compound with molecular formula C14H15ClN4OS and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-6-propan-2-ylsulfanylpyrimidin-2-yl)-3-phenylurea
Also Known As: N-(4-Chloro-6-(isopropylsulfanyl)-2-pyrimidinyl)-N'-phenylurea, 1-(4-chloro-6-propan-2-ylsulfanylpyrimidin-2-yl)-3-phenylurea, N-[4-chloro-6-(isopropylsulfanyl)-2-pyrimidinyl]-N'-phenylurea, 3-[4-chloro-6-(propan-2-ylsulfanyl)pyrimidin-2-yl]-1-phenylurea, 3-[4-chloro-6-(isopropylsulfanyl)pyrimidin-2-yl]-1-phenylurea
| Molecular Formula | C14H15ClN4OS |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 4.2745 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.06552 |
| Heavy Atoms | 21 |
| Complexity | 621.626 |
Chemical Identifiers
| CAS Number | 339017-64-0 |
|---|---|
| SMILES | CC(C)SC1=CC(=NC(=N1)NC(=O)NC2=CC=CC=C2)Cl |
Product Overview
N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea (CAS 339017-64-0), with molecular formula C14H15ClN4OS and molecular weight 322.07 g/mol. IUPAC: 1-(4-chloro-6-propan-2-ylsulfanylpyrimidin-2-yl)-3-phenylurea.
Chemical Property Profile of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea
Property Insights of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea
The XLogP value of 4.2745 indicates that N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea. Following Lipinski's Rule of Five, N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea 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 N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea?
The CAS number of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea is 339017-64-0.
What is the molecular formula of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea?
The molecular formula of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea is C14H15ClN4OS.
What is the molecular weight of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea?
The molecular weight of N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea is 322.07 g/mol.
Where can I buy N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea?
You can request a quote for N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.