2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide
TL;DR: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide (CAS 55417-18-0) is a chemical compound with molecular formula C24H40BrN5OS and molecular weight 525.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butoxy-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide, 6-butoxy-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine hydrobromide, 6-Butoxy-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~-methyl-5-(methylsulfanyl)-N~2~-phenylpyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246938
| Molecular Formula | C24H40BrN5OS |
|---|---|
| Molecular Weight | 525.21 g/mol |
| LogP | 6.2539 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 525.2137 |
| Heavy Atoms | 32 |
| Complexity | 783.4591 |
Chemical Identifiers
| CAS Number | 55417-18-0 |
|---|---|
| SMILES | CCCCOC1=NC(=NC(=C1SC)NCCN(C(C)C)C(C)C)N(C)C2=CC=CC=C2.Br |
Product Overview
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide (CAS 55417-18-0), with molecular formula C24H40BrN5OS and molecular weight 525.21 g/mol. IUPAC: 6-butoxy-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide
Property Insights of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide
The XLogP value of 6.2539 indicates that 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.52 Ų, 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide has 1 hydrogen bond donor(s) and 7 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-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide?
The CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide is 55417-18-0.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide is C24H40BrN5OS.
What is the molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide is 525.21 g/mol.
Where can I buy 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, 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, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.