7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione (CAS 203451-39-2) is a chemical compound with molecular formula C10H13N5O4 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylpropyl)-8-nitropurine-2,6-dione
Also Known As: 3-methyl-7-(2-methylpropyl)-8-nitropurine-2,6-dione, 7-isobutyl-3-methyl-8-nitro-1H-purine-2,6(3H,7H)-dione, 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione, 6-hydroxy-3-methyl-7-(2-methylpropyl)-8-nitro-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C10H13N5O4 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | -0.0125 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09674 |
| Heavy Atoms | 19 |
| Complexity | 766.5436 |
Chemical Identifiers
| CAS Number | 203451-39-2 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione (CAS 203451-39-2), with molecular formula C10H13N5O4 and molecular weight 267.10 g/mol. IUPAC: 3-methyl-7-(2-methylpropyl)-8-nitropurine-2,6-dione.
Chemical Property Profile of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione
The XLogP value of -0.0125 indicates that 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-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 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione is 203451-39-2.
What is the molecular formula of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione is C10H13N5O4.
What is the molecular weight of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione is 267.10 g/mol.
Where can I buy 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-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 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Isobutyl-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.