![N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine structure](/static/products/3390/339017-76-4.webp)
N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine
TL;DR: N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine (CAS 339017-76-4) is a chemical compound with molecular formula C11H11ClN4S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)benzene-1,2-diamine
Also Known As: N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine, N1-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]benzene-1,2-diamine, 2-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)benzene-1,2-diamine, N-(2-Aminophenyl)-N-(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)amine, N~1~-6-chloro-2-(methylsulfanyl)-4-pyrimidinyl-1,2-benzenediamine
| Molecular Formula | C11H11ClN4S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 3.1777 |
| Topological Polar Surface Area | 63.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0393 |
| Heavy Atoms | 17 |
| Complexity | 532.62994 |
Chemical Identifiers
| CAS Number | 339017-76-4 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)NC2=CC=CC=C2N |
Product Overview
N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine (CAS 339017-76-4), with molecular formula C11H11ClN4S and molecular weight 266.04 g/mol. IUPAC: 2-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)benzene-1,2-diamine.
Chemical Property Profile of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine
Property Insights of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine
The XLogP value of 3.1777 indicates that N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine. Following Lipinski's Rule of Five, N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine 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 N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine?
The CAS number of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine is 339017-76-4.
What is the molecular formula of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine?
The molecular formula of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine is C11H11ClN4S.
What is the molecular weight of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine?
The molecular weight of N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine is 266.04 g/mol.
Where can I buy N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine?
You can request a quote for N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1,2-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.