2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate
TL;DR: 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate (CAS 83540-36-7) is a chemical compound with molecular formula C14H19Cl3N6O and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine;dihydrochloride
Also Known As: 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate, 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine dihydrochloride, 6-Amino-4-(4-(3-chlorophenyl)piperazin-1-yl)-2-iminopyrimidin-1(2H)-ol--hydrogen chloride (1/2), 6-Amino-4-[4-(3-chlorophenyl)piperazin-1-yl]-2-iminopyrimidin-1(2H)-ol--hydrogen chloride (1/2), RefChem:1073794
| Molecular Formula | C14H19Cl3N6O |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 2.00567 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.0686 |
| Heavy Atoms | 24 |
| Complexity | 745.5299 |
Chemical Identifiers
| CAS Number | 83540-36-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=N)N(C(=C3)N)O.Cl.Cl |
Product Overview
2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate (CAS 83540-36-7), with molecular formula C14H19Cl3N6O and molecular weight 392.07 g/mol. IUPAC: 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine;dihydrochloride.
Chemical Property Profile of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate
Property Insights of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate
The XLogP value of 2.00567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate has 3 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 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate?
The CAS number of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate is 83540-36-7.
What is the molecular formula of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate?
The molecular formula of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate is C14H19Cl3N6O.
What is the molecular weight of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate?
The molecular weight of 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate is 392.07 g/mol.
Where can I buy 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate?
You can request a quote for 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, 6-(4-(3-chlorophenyl)-1-piperazinyl)-, 3-oxide, dihydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.