5-25-12-00572 (Beilstein Handbook Reference)
TL;DR: 5-25-12-00572 (Beilstein Handbook Reference) (CAS 55477-31-1) is a chemical compound with molecular formula C17H23Cl2N5S and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-phenylpyrimidin-2-amine;hydrochloride
Also Known As: 5-25-12-00572 (Beilstein Handbook Reference), Pyrimidine, 4-chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-methylthio-, hydrochloride, 2-(N-Methyl-N-phenyl)amino-4-N-methylpiperazino-5-methylthio-6-chloropyrimidine hydrochloride, 2-Pyrimidinamine, 4-chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-phenyl-, HCl, 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-methylthiopyrimidine hydrochloride
| Molecular Formula | C17H23Cl2N5S |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.7934 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.10513 |
| Heavy Atoms | 25 |
| Complexity | 692.9376 |
Chemical Identifiers
| CAS Number | 55477-31-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)Cl)SC.Cl |
Product Overview
5-25-12-00572 (Beilstein Handbook Reference) (CAS 55477-31-1), with molecular formula C17H23Cl2N5S and molecular weight 399.11 g/mol. IUPAC: 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-phenylpyrimidin-2-amine;hydrochloride.
Chemical Property Profile of 5-25-12-00572 (Beilstein Handbook Reference)
Property Insights of 5-25-12-00572 (Beilstein Handbook Reference)
The XLogP value of 3.7934 indicates that 5-25-12-00572 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 5-25-12-00572 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-25-12-00572 (Beilstein Handbook Reference) has 0 hydrogen bond donor(s) and 6 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 5-25-12-00572 (Beilstein Handbook Reference)?
The CAS number of 5-25-12-00572 (Beilstein Handbook Reference) is 55477-31-1.
What is the molecular formula of 5-25-12-00572 (Beilstein Handbook Reference)?
The molecular formula of 5-25-12-00572 (Beilstein Handbook Reference) is C17H23Cl2N5S.
What is the molecular weight of 5-25-12-00572 (Beilstein Handbook Reference)?
The molecular weight of 5-25-12-00572 (Beilstein Handbook Reference) is 399.11 g/mol.
Where can I buy 5-25-12-00572 (Beilstein Handbook Reference)?
You can request a quote for 5-25-12-00572 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-12-00572 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-12-00572 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.