8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 361174-86-9) is a chemical compound with molecular formula C16H21N5O3 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(furan-2-ylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 03041333, AB00138735-02, 8-((2-FURYLMETHYL)AMINO)-7-ISOPENTYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-((furan-2-ylmethyl)amino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(furan-2-ylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
| Molecular Formula | C16H21N5O3 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.16443 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 361174-86-9 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C |
| InChIKey | CPWVQHRWEQZWFF-UHFFFAOYSA-N |
Product Overview
8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 361174-86-9), with molecular formula C16H21N5O3 and molecular weight 331.16 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione 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 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 361174-86-9.
What is the molecular formula of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C16H21N5O3.
What is the molecular weight of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 331.16 g/mol.
Where can I buy 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-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-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-Furylmethyl)amino)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.