RefChem:1064553
TL;DR: RefChem:1064553 (CAS 106465-53-6) is a chemical compound with molecular formula C22H26N4O4 and molecular weight 410.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Also Known As: (E)-4-(1,3-Dibutyl-1,2,3,6-tetrahydro-2,6-dioxo-9H-purin-8-yl)cinnamic acid, 2-Propenoic acid, 3-(4-(1,3-dibutyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-, (E)-3-(4-(1,3-Dibutyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)phenyl)-2-propenoic acid, (E)-3-[4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C22H26N4O4 |
| Molecular Weight | 410.1954 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1954 Da |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O |
| InChIKey | HWJBOIMFFUDOEJ-FMIVXFBMSA-N |
Chemical Property Profile of RefChem:1064553
Property Insights of RefChem:1064553
The XLogP value of 4.7 indicates that RefChem:1064553 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:1064553. Following Lipinski's Rule of Five, RefChem:1064553 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:1064553?
The CAS number of RefChem:1064553 is 106465-53-6.
What is the molecular formula of RefChem:1064553?
The molecular formula of RefChem:1064553 is C22H26N4O4.
What is the molecular weight of RefChem:1064553?
The molecular weight of RefChem:1064553 is 410.1954 g/mol.
Where can I buy RefChem:1064553?
You can request a quote for RefChem:1064553 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064553?
Yes, CoreyChem provides custom synthesis services for RefChem:1064553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.