RefChem:246949
TL;DR: RefChem:246949 (CAS 55417-13-5) is a chemical compound with molecular formula C17H26BrN5OS and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(dimethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide, 4-N-(2-dimethylaminoethyl)-6-methoxy-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine hydrobromide, N~4~-[2-(Dimethylamino)ethyl]-6-methoxy-N~2~-methyl-5-(methylsulfanyl)-N~2~-phenylpyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246949
| Molecular Formula | C17H26BrN5OS |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 3.5264 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.10413 |
| Heavy Atoms | 25 |
| Complexity | 656.9865 |
Chemical Identifiers
| CAS Number | 55417-13-5 |
|---|---|
| SMILES | CN(C)CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)OC)SC.Br |
Product Overview
RefChem:246949 (CAS 55417-13-5), with molecular formula C17H26BrN5OS and molecular weight 427.10 g/mol. IUPAC: 4-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of RefChem:246949
Property Insights of RefChem:246949
The XLogP value of 3.5264 indicates that RefChem:246949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.52 Ų, RefChem:246949 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:246949 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 RefChem:246949?
The CAS number of RefChem:246949 is 55417-13-5.
What is the molecular formula of RefChem:246949?
The molecular formula of RefChem:246949 is C17H26BrN5OS.
What is the molecular weight of RefChem:246949?
The molecular weight of RefChem:246949 is 427.10 g/mol.
Where can I buy RefChem:246949?
You can request a quote for RefChem:246949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:246949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:246949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.