2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-
TL;DR: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- (CAS 55417-09-9) is a chemical compound with molecular formula C22H34ClN5O2S and molecular weight 467.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-N-(3,4-dimethoxyphenyl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, 4-Chloro-N-(3,4-dimethoxyphenyl)-6-({2-[di(propan-2-yl)amino]ethyl}imino)-N-methyl-5-(methylsulfanyl)-1,6-dihydropyrimidin-2-amine, 6-chloro-2-N-(3,4-dimethoxyphenyl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine, RefChem:246940
| Molecular Formula | C22H34ClN5O2S |
|---|---|
| Molecular Weight | 467.21 g/mol |
| LogP | 5.1677 |
| Topological Polar Surface Area | 62.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 467.2122 |
| Heavy Atoms | 31 |
| Complexity | 858.03516 |
Chemical Identifiers
| CAS Number | 55417-09-9 |
|---|---|
| SMILES | CC(C)N(CCNC1=C(C(=NC(=N1)N(C)C2=CC(=C(C=C2)OC)OC)Cl)SC)C(C)C |
Product Overview
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- (CAS 55417-09-9), with molecular formula C22H34ClN5O2S and molecular weight 467.21 g/mol. IUPAC: 6-chloro-2-N-(3,4-dimethoxyphenyl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-
Property Insights of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-
The XLogP value of 5.1677 indicates that 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-?
The CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- is 55417-09-9.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- is C22H34ClN5O2S.
What is the molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- is 467.21 g/mol.
Where can I buy 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.