RefChem:245189
TL;DR: RefChem:245189 (CAS 77917-24-9) is a chemical compound with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Also Known As: 1-(4-Aminobenzyl)-4-(4-(2-pyrimidinylamino)benzyl)-2,3-dioxopiperazine, 1-((4-Aminophenyl)methyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-2,3-piperazinedione, 2,3-Piperazinedione, 1-((4-aminophenyl)methyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-, 1-[(4-Aminophenyl)methyl]-4-({4-[(pyrimidin-2-yl)amino]phenyl}methyl)piperazine-2,3-dione, 1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
| Molecular Formula | C22H22N6O2 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 2.1734 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.18042 |
| Heavy Atoms | 30 |
| Complexity | 1021.7581 |
Chemical Identifiers
| CAS Number | 77917-24-9 |
|---|---|
| SMILES | C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)N)CC3=CC=C(C=C3)NC4=NC=CC=N4 |
Product Overview
RefChem:245189 (CAS 77917-24-9), with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol. IUPAC: 1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione.
Chemical Property Profile of RefChem:245189
Property Insights of RefChem:245189
The XLogP value of 2.1734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245189. The TPSA of 104.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:245189. Following Lipinski's Rule of Five, RefChem:245189 has 2 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 RefChem:245189?
The CAS number of RefChem:245189 is 77917-24-9.
What is the molecular formula of RefChem:245189?
The molecular formula of RefChem:245189 is C22H22N6O2.
What is the molecular weight of RefChem:245189?
The molecular weight of RefChem:245189 is 402.18 g/mol.
Where can I buy RefChem:245189?
You can request a quote for RefChem:245189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.