RefChem:1064557
TL;DR: RefChem:1064557 (CAS 106465-49-0) is a chemical compound with molecular formula C18H18N4O4 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid
Also Known As: (E)-4-(1,2,3,6-Tetrahydro-3-isobutyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid, 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-3-(2-methylpropyl)-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-, (E)-3-[4-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid, RefChem:1064557
| Molecular Formula | C18H18N4O4 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 1.8337 |
| Topological Polar Surface Area | 120.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1328 |
| Heavy Atoms | 26 |
| Complexity | 1100.9069 |
Chemical Identifiers
| CAS Number | 106465-49-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O |
Product Overview
RefChem:1064557 (CAS 106465-49-0), with molecular formula C18H18N4O4 and molecular weight 354.13 g/mol. IUPAC: (E)-3-[4-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid.
Chemical Property Profile of RefChem:1064557
Property Insights of RefChem:1064557
The XLogP value of 1.8337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064557. The TPSA of 120.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064557. Following Lipinski's Rule of Five, RefChem:1064557 has 3 hydrogen bond donor(s) and 4 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:1064557?
The CAS number of RefChem:1064557 is 106465-49-0.
What is the molecular formula of RefChem:1064557?
The molecular formula of RefChem:1064557 is C18H18N4O4.
What is the molecular weight of RefChem:1064557?
The molecular weight of RefChem:1064557 is 354.13 g/mol.
Where can I buy RefChem:1064557?
You can request a quote for RefChem:1064557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064557?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.