RefChem:246927
TL;DR: RefChem:246927 (CAS 55416-92-7) is a chemical compound with molecular formula C18H28Br2ClN5S and molecular weight 539.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;dihydrobromide
Also Known As: 2-N-Methyl-N-phenylamino-4-(2'-diethylamino)ethylamino-5-methylthio-6-chloropyrimidine 2HBr, 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide, 4-Chloro-6-{[2-(diethylamino)ethyl]imino}-N-methyl-5-(methylsulfanyl)-N-phenyl-1,6-dihydropyrimidin-2-amine--hydrogen bromide (1/2), 6-chloro-4-N-(2-diethylaminoethyl)-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine dihydrobromide, RefChem:246927
| Molecular Formula | C18H28Br2ClN5S |
|---|---|
| Molecular Weight | 539.01 g/mol |
| LogP | 5.5293 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.0121 |
| Heavy Atoms | 27 |
| Complexity | 674.3016 |
Chemical Identifiers
| CAS Number | 55416-92-7 |
|---|---|
| SMILES | CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)Cl)SC.Br.Br |
Product Overview
RefChem:246927 (CAS 55416-92-7), with molecular formula C18H28Br2ClN5S and molecular weight 539.01 g/mol. IUPAC: 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;dihydrobromide.
Chemical Property Profile of RefChem:246927
Property Insights of RefChem:246927
The XLogP value of 5.5293 indicates that RefChem:246927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, RefChem:246927 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:246927 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 RefChem:246927?
The CAS number of RefChem:246927 is 55416-92-7.
What is the molecular formula of RefChem:246927?
The molecular formula of RefChem:246927 is C18H28Br2ClN5S.
What is the molecular weight of RefChem:246927?
The molecular weight of RefChem:246927 is 539.01 g/mol.
Where can I buy RefChem:246927?
You can request a quote for RefChem:246927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:246927?
Yes, KEHONG BIO provides custom synthesis services for RefChem:246927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.