C18H18N6O6
TL;DR: C18H18N6O6 (CAS 488804-00-8) is a chemical compound with molecular formula C18H18N6O6 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: {2-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl]phenoxy}acetic acid, (E)-2-(2-((2-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl)hydrazono)methyl)phenoxy)acetic acid, [2-((E)-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazono}methyl)phenoxy]acetic acid, 2-(2-{(1E)-2-[2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))acetylamino] -2-azavinyl}phenoxy)acetic acid, 2-[2-[[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic Acid
| Molecular Formula | C18H18N6O6 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | -0.9526 |
| Topological Polar Surface Area | 149.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.12878 |
| Heavy Atoms | 30 |
| Complexity | 1268.388 |
Chemical Identifiers
| CAS Number | 488804-00-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N/N=C/C3=CC=CC=C3OCC(=O)O |
Product Overview
C18H18N6O6 (CAS 488804-00-8), with molecular formula C18H18N6O6 and molecular weight 414.13 g/mol. IUPAC: 2-[2-[(E)-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of C18H18N6O6
Property Insights of C18H18N6O6
The XLogP value of -0.9526 indicates that C18H18N6O6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.81 Ų indicates high polarity, suggesting C18H18N6O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H18N6O6 has 2 hydrogen bond donor(s) and 7 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 C18H18N6O6?
The CAS number of C18H18N6O6 is 488804-00-8.
What is the molecular formula of C18H18N6O6?
The molecular formula of C18H18N6O6 is C18H18N6O6.
What is the molecular weight of C18H18N6O6?
The molecular weight of C18H18N6O6 is 414.13 g/mol.
Where can I buy C18H18N6O6?
You can request a quote for C18H18N6O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H18N6O6?
Yes, KEHONG BIO provides custom synthesis services for C18H18N6O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.