RefChem:1064558
TL;DR: RefChem:1064558 (CAS 106465-56-9) is a chemical compound with molecular formula C19H20N4O4 and molecular weight 368.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[4-(3-butyl-1-methyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Also Known As: (E)-4-(3-Butyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid, 2-Propenoic acid, 3-(4-(3-butyl-2,3,6,7-tetrahydro-1-methyl-2,6-dioxo-1H-purin-8-yl)phenyl)-,(E)-, (E)-3-[4-(3-butyl-1-methyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C19H20N4O4 |
| Molecular Weight | 368.14847 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.14847 Da |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O |
| InChIKey | WZVIRIYNDZYBIL-JXMROGBWSA-N |
Chemical Property Profile of RefChem:1064558
Property Insights of RefChem:1064558
The XLogP value of 3.4 indicates that RefChem:1064558 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:1064558. Following Lipinski's Rule of Five, RefChem:1064558 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:1064558?
The CAS number of RefChem:1064558 is 106465-56-9.
What is the molecular formula of RefChem:1064558?
The molecular formula of RefChem:1064558 is C19H20N4O4.
What is the molecular weight of RefChem:1064558?
The molecular weight of RefChem:1064558 is 368.14847 g/mol.
Where can I buy RefChem:1064558?
You can request a quote for RefChem:1064558 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064558?
Yes, CoreyChem provides custom synthesis services for RefChem:1064558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.