8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione
TL;DR: 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione (CAS 500198-81-2) is a chemical compound with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione
Also Known As: BAS 04914656, 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione, 8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(furfurylamino)-3-methyl-3,7-dihydro-2H-purine-2,6(1H)-dione, 8-((furan-2-ylmethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C11H11N5O3 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.08618 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 500198-81-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=N2)NCC3=CC=CO3 |
| InChIKey | CETHRXXIKMKPBV-UHFFFAOYSA-N |
Product Overview
8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione (CAS 500198-81-2), with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione
Property Insights of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione has 3 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 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione?
The CAS number of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione is 500198-81-2.
What is the molecular formula of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione?
The molecular formula of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione is C11H11N5O3.
What is the molecular weight of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione?
The molecular weight of 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione is 261.09 g/mol.
Where can I buy 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione?
You can request a quote for 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.