4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine
TL;DR: 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine (CAS 877-12-3) is a chemical compound with molecular formula C11H7Cl4N3S and molecular weight 352.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-5-amine
Also Known As: NCIOpen2_008155, 4,6-dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine, 4,6-dichloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-5-amine
| Molecular Formula | C11H7Cl4N3S |
|---|---|
| Molecular Weight | 352.91 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.91147 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 877-12-3 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)NC2=CC(=C(C=C2)Cl)Cl)Cl |
| InChIKey | NDAJYJXFLJOUQF-UHFFFAOYSA-N |
Product Overview
4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine (CAS 877-12-3), with molecular formula C11H7Cl4N3S and molecular weight 352.91 g/mol. IUPAC: 4,6-dichloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-5-amine.
Chemical Property Profile of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine
Property Insights of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine
The XLogP value of 5.8 indicates that 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine. Following Lipinski's Rule of Five, 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine?
The CAS number of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine is 877-12-3.
What is the molecular formula of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine?
The molecular formula of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine is C11H7Cl4N3S.
What is the molecular weight of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine?
The molecular weight of 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine is 352.91 g/mol.
Where can I buy 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine?
You can request a quote for 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-n-(3,4-dichlorophenyl)-2-(methylsulfanyl)pyrimidin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.