![1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one structure](/static/products/6493/6493-03-4.webp)
1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one
TL;DR: 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one (CAS 6493-03-4) is a chemical compound with molecular formula C14H13N5O3S2 and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one
Also Known As: 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one, 1,3-Dimethyl-8-{[(4-nitrophenyl)methyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one
| Molecular Formula | C14H13N5O3S2 |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 2.53009 |
| Topological Polar Surface Area | 98.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.046 |
| Heavy Atoms | 24 |
| Complexity | 1049.1876 |
Chemical Identifiers
| CAS Number | 6493-03-4 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one (CAS 6493-03-4), with molecular formula C14H13N5O3S2 and molecular weight 363.05 g/mol. IUPAC: 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one
Property Insights of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one
The XLogP value of 2.53009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one. The TPSA of 98.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one. Following Lipinski's Rule of Five, 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one has 1 hydrogen bond donor(s) and 6 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-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one?
The CAS number of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one is 6493-03-4.
What is the molecular formula of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one?
The molecular formula of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one is C14H13N5O3S2.
What is the molecular weight of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one?
The molecular weight of 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one is 363.05 g/mol.
Where can I buy 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one?
You can request a quote for 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.