C25H34F3N5O2S.2BrH.1/2H2O
TL;DR: C25H34F3N5O2S.2BrH.1/2H2O (CAS 57259-15-1) is a chemical compound with molecular formula C25H36Br2F3N5O2S and molecular weight 685.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;dihydrobromide
Also Known As: C25H34F3N5O2S.2BrH.1/2H2O, 2-Pyrimidinamine, 4,6-bis(1-methyl-4-piperidinyl)oxy)-N-methyl-5-(methylthio)-N-(3-(trifluoromethyl)phenyl)-, hydrobromide, hydrate (2:4:1), C25-H34-F3-N5-O2-S.2Br-H.1/2H2-O, N-Methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine--hydrogen bromide (1/2), N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine dihydrobromide
| Molecular Formula | C25H36Br2F3N5O2S |
|---|---|
| Molecular Weight | 685.09 g/mol |
| LogP | 6.087 |
| Topological Polar Surface Area | 53.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 685.0909 |
| Heavy Atoms | 38 |
| Complexity | 991.2936 |
Chemical Identifiers
| CAS Number | 57259-15-1 |
|---|---|
| SMILES | CN1CCC(CC1)OC2=C(C(=NC(=N2)N(C)C3=CC=CC(=C3)C(F)(F)F)OC4CCN(CC4)C)SC.Br.Br |
Product Overview
C25H34F3N5O2S.2BrH.1/2H2O (CAS 57259-15-1), with molecular formula C25H36Br2F3N5O2S and molecular weight 685.09 g/mol. IUPAC: N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;dihydrobromide.
Chemical Property Profile of C25H34F3N5O2S.2BrH.1/2H2O
Property Insights of C25H34F3N5O2S.2BrH.1/2H2O
The XLogP value of 6.087 indicates that C25H34F3N5O2S.2BrH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.96 Ų, C25H34F3N5O2S.2BrH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H34F3N5O2S.2BrH.1/2H2O has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H34F3N5O2S.2BrH.1/2H2O?
The CAS number of C25H34F3N5O2S.2BrH.1/2H2O is 57259-15-1.
What is the molecular formula of C25H34F3N5O2S.2BrH.1/2H2O?
The molecular formula of C25H34F3N5O2S.2BrH.1/2H2O is C25H36Br2F3N5O2S.
What is the molecular weight of C25H34F3N5O2S.2BrH.1/2H2O?
The molecular weight of C25H34F3N5O2S.2BrH.1/2H2O is 685.09 g/mol.
Where can I buy C25H34F3N5O2S.2BrH.1/2H2O?
You can request a quote for C25H34F3N5O2S.2BrH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H34F3N5O2S.2BrH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C25H34F3N5O2S.2BrH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.