9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
TL;DR: 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide (CAS 898446-63-4) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
Also Known As: AB00679693-01, F2565-0108, 9-(4-(tert-butyl)phenyl)-2-(5-methylfuran-2-yl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide, 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
| Molecular Formula | C21H21N5O3 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 3.07362 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.16443 |
| Heavy Atoms | 29 |
| Complexity | 1286.8381 |
Chemical Identifiers
| CAS Number | 898446-63-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N |
Product Overview
9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide (CAS 898446-63-4), with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol. IUPAC: 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
Property Insights of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide
The XLogP value of 3.07362 indicates that 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide. Following Lipinski's Rule of Five, 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide 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
Frequently Asked Questions
What is the CAS number of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
The CAS number of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is 898446-63-4.
What is the molecular formula of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
The molecular formula of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is C21H21N5O3.
What is the molecular weight of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
The molecular weight of 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide is 391.16 g/mol.
Where can I buy 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
You can request a quote for 9-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-tert-butylphenyl)-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.