9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
TL;DR: 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide (CAS 896301-76-1) is a chemical compound with molecular formula C18H13N5O5 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
Also Known As: F2565-0388, 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide, 9-(2H-1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, 9-(benzo[d][1,3]dioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
| Molecular Formula | C18H13N5O5 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 1.50482 |
| Topological Polar Surface Area | 138.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.09167 |
| Heavy Atoms | 28 |
| Complexity | 1315.8928 |
Chemical Identifiers
| CAS Number | 896301-76-1 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N |
Product Overview
9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide (CAS 896301-76-1), with molecular formula C18H13N5O5 and molecular weight 379.09 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
Property Insights of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
The XLogP value of 1.50482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide. The TPSA of 138.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide. Following Lipinski's Rule of Five, 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide 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 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
The CAS number of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is 896301-76-1.
What is the molecular formula of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
The molecular formula of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is C18H13N5O5.
What is the molecular weight of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
The molecular weight of 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is 379.09 g/mol.
Where can I buy 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
You can request a quote for 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(1,3-benzodioxol-5-yl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.