6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
TL;DR: 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine (CAS 400074-35-3) is a chemical compound with molecular formula C13H13Cl3N4S and molecular weight 361.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
Also Known As: 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine, 10L-377S, 6-chloro-N4-[(3,4-dichlorophenyl)methyl]-N2-methyl-5-(methylsulfanyl)pyrimidine-2,4-diamine, 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine, 6-Chloro-N4-(3,4-dichlorobenzyl)-N2-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
| Molecular Formula | C13H13Cl3N4S |
|---|---|
| Molecular Weight | 361.99 g/mol |
| LogP | 4.8125 |
| Topological Polar Surface Area | 49.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.99265 |
| Heavy Atoms | 21 |
| Complexity | 651.5538 |
Chemical Identifiers
| CAS Number | 400074-35-3 |
|---|---|
| SMILES | CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine (CAS 400074-35-3), with molecular formula C13H13Cl3N4S and molecular weight 361.99 g/mol. IUPAC: 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
Property Insights of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
The XLogP value of 4.8125 indicates that 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.84 Ų, 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine 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 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine?
The CAS number of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine is 400074-35-3.
What is the molecular formula of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine?
The molecular formula of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine is C13H13Cl3N4S.
What is the molecular weight of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine?
The molecular weight of 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine is 361.99 g/mol.
Where can I buy 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine?
You can request a quote for 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N~4~-(3,4-dichlorobenzyl)-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.