2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
TL;DR: 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide (CAS 55416-95-0) is a chemical compound with molecular formula C18H26BrCl2N5S and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide, 6-chloro-2-N-(4-chlorophenyl)-4-N-(2-diethylaminoethyl)-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine hydrobromide, 6-Chloro-N~2~-(4-chlorophenyl)-N~4~-[2-(diethylamino)ethyl]-N~2~-methyl-5-(methylsulfanyl)pyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246922
| Molecular Formula | C18H26BrCl2N5S |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 5.6048 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.04694 |
| Heavy Atoms | 27 |
| Complexity | 713.6433 |
Chemical Identifiers
| CAS Number | 55416-95-0 |
|---|---|
| SMILES | CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C2=CC=C(C=C2)Cl)Cl)SC.Br |
Product Overview
2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide (CAS 55416-95-0), with molecular formula C18H26BrCl2N5S and molecular weight 493.05 g/mol. IUPAC: 6-chloro-2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
Property Insights of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
The XLogP value of 5.6048 indicates that 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide has 1 hydrogen bond donor(s) and 6 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, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The CAS number of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is 55416-95-0.
What is the molecular formula of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The molecular formula of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is C18H26BrCl2N5S.
What is the molecular weight of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The molecular weight of 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is 493.05 g/mol.
Where can I buy 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
You can request a quote for 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide 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, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.