RefChem:1064555
TL;DR: RefChem:1064555 (CAS 106465-57-0) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[4-(3-benzyl-1-methyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Also Known As: (E)-4-(3-Benzyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid, 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-1-methyl-2,6-dioxo-3-(phenylmethyl)-1H-purin-8-yl)phenyl)-, (E)-, (E)-3-[4-(3-benzyl-1-methyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C22H18N4O4 |
| Molecular Weight | 402.1328 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1328 Da |
| Heavy Atoms | 30 |
| Complexity | 697.0 |
| SMILES | CN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)/C=C/C(=O)O)N(C1=O)CC4=CC=CC=C4 |
| InChIKey | IVZGNEYSRNZBTA-FMIVXFBMSA-N |
Chemical Property Profile of RefChem:1064555
Property Insights of RefChem:1064555
The XLogP value of 3.6 indicates that RefChem:1064555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064555. Following Lipinski's Rule of Five, RefChem:1064555 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1064555?
The CAS number of RefChem:1064555 is 106465-57-0.
What is the molecular formula of RefChem:1064555?
The molecular formula of RefChem:1064555 is C22H18N4O4.
What is the molecular weight of RefChem:1064555?
The molecular weight of RefChem:1064555 is 402.1328 g/mol.
Where can I buy RefChem:1064555?
You can request a quote for RefChem:1064555 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064555?
Yes, CoreyChem provides custom synthesis services for RefChem:1064555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.