8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
TL;DR: 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione (CAS 403830-63-7) is a chemical compound with molecular formula C13H10N6O6S and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione, AB00672988-01, 8-((2,4-dinitrophenyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1008-0288, 8-[(2,4-dinitrophenyl)sulfanyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H10N6O6S |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 0.9279 |
| Topological Polar Surface Area | 158.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.03824 |
| Heavy Atoms | 26 |
| Complexity | 1192.2782 |
Chemical Identifiers
| CAS Number | 403830-63-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione (CAS 403830-63-7), with molecular formula C13H10N6O6S and molecular weight 378.04 g/mol. IUPAC: 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Property Insights of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
The XLogP value of 0.9279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione. The TPSA of 158.96 Ų indicates high polarity, suggesting 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione has 1 hydrogen bond donor(s) and 8 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-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
The CAS number of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione is 403830-63-7.
What is the molecular formula of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
The molecular formula of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione is C13H10N6O6S.
What is the molecular weight of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
The molecular weight of 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione is 378.04 g/mol.
Where can I buy 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
You can request a quote for 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-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-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.