2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
TL;DR: 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide (CAS 55417-12-4) is a chemical compound with molecular formula C19H29BrClN5OS and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]-6-methoxy-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide, 2-N-(4-chlorophenyl)-4-N-(2-diethylaminoethyl)-6-methoxy-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine hydrobromide, N~2~-(4-Chlorophenyl)-N~4~-[2-(diethylamino)ethyl]-6-methoxy-N~2~-methyl-5-(methylsulfanyl)pyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246935
| Molecular Formula | C19H29BrClN5OS |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 4.96 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.09647 |
| Heavy Atoms | 28 |
| Complexity | 731.0091 |
Chemical Identifiers
| CAS Number | 55417-12-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C2=CC=C(C=C2)Cl)OC)SC.Br |
Product Overview
2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide (CAS 55417-12-4), with molecular formula C19H29BrClN5OS and molecular weight 489.10 g/mol. IUPAC: 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]-6-methoxy-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
Property Insights of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
The XLogP value of 4.96 indicates that 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-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 53.52 Ų, 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-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, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide has 1 hydrogen bond donor(s) and 7 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 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The CAS number of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is 55417-12-4.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is C19H29BrClN5OS.
What is the molecular weight of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is 489.10 g/mol.
Where can I buy 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-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, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.