RefChem:246942
TL;DR: RefChem:246942 (CAS 55417-06-6) is a chemical compound with molecular formula C21H30BrClF3N5S and molecular weight 555.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(3-(trifluoromethyl)phenyl)-, monohydrobromide, 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine hydrobromide, 6-Chloro-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~-methyl-5-(methylsulfanyl)-N~2~-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246942
| Molecular Formula | C21H30BrClF3N5S |
|---|---|
| Molecular Weight | 555.10 g/mol |
| LogP | 6.7472 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 555.1046 |
| Heavy Atoms | 32 |
| Complexity | 874.999 |
Chemical Identifiers
| CAS Number | 55417-06-6 |
|---|---|
| SMILES | CC(C)N(CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC(=C2)C(F)(F)F)Cl)SC)C(C)C.Br |
Product Overview
RefChem:246942 (CAS 55417-06-6), with molecular formula C21H30BrClF3N5S and molecular weight 555.10 g/mol. IUPAC: 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of RefChem:246942
Property Insights of RefChem:246942
The XLogP value of 6.7472 indicates that RefChem:246942 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:246942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:246942 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:246942?
The CAS number of RefChem:246942 is 55417-06-6.
What is the molecular formula of RefChem:246942?
The molecular formula of RefChem:246942 is C21H30BrClF3N5S.
What is the molecular weight of RefChem:246942?
The molecular weight of RefChem:246942 is 555.10 g/mol.
Where can I buy RefChem:246942?
You can request a quote for RefChem:246942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:246942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:246942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.