2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-, 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)-(phenylmethyl)-, monohydrobromide (CAS 55417-17-9) is a chemical compound with molecular formula C25H42BrN5OS and molecular weight 539.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-6-butoxy-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-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)-(phenylmethyl)-, monohydrobromide, 2-N-benzyl-6-butoxy-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine hydrobromide, N~2~-Benzyl-6-butoxy-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~-methyl-5-(methylsulfanyl)pyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246937
| Molecular Formula | C25H42BrN5OS |
|---|---|
| Molecular Weight | 539.23 g/mol |
| LogP | 6.1224 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 539.2294 |
| Heavy Atoms | 33 |
| Complexity | 798.88434 |
Chemical Identifiers
| CAS Number | 55417-17-9 |
|---|---|
| SMILES | CCCCOC1=NC(=NC(=C1SC)NCCN(C(C)C)C(C)C)N(C)CC2=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)-(phenylmethyl)-, monohydrobromide (CAS 55417-17-9), with molecular formula C25H42BrN5OS and molecular weight 539.23 g/mol. IUPAC: 2-N-benzyl-6-butoxy-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-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)-(phenylmethyl)-, 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)-(phenylmethyl)-, monohydrobromide
The XLogP value of 6.1224 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, monohydrobromide is 55417-17-9.
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)-(phenylmethyl)-, 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)-(phenylmethyl)-, monohydrobromide is C25H42BrN5OS.
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)-(phenylmethyl)-, 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)-(phenylmethyl)-, monohydrobromide is 539.23 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, 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)-(phenylmethyl)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.