![1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/840/840515-31-3.png)
1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione (CAS 840515-31-3) is a chemical compound with molecular formula C19H24FN5O2 and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione
Also Known As: 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 1-(3-fluorobenzyl)-8-(isopentylamino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione
| Molecular Formula | C19H24FN5O2 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.1914 |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 840515-31-3 |
|---|---|
| SMILES | CC(C)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)F |
| InChIKey | WULKDWNNAIQYQL-UHFFFAOYSA-N |
Product Overview
1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione (CAS 840515-31-3), with molecular formula C19H24FN5O2 and molecular weight 373.19 g/mol. IUPAC: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione.
Chemical Property Profile of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.2 indicates that 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione has 1 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 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione is 840515-31-3.
What is the molecular formula of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione is C19H24FN5O2.
What is the molecular weight of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione is 373.19 g/mol.
Where can I buy 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-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 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-fluorobenzyl)-3,7-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.