![8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine structure](/static/products/2131/21318-76-3.webp)
8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine
TL;DR: 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine (CAS 21318-76-3) is a chemical compound with molecular formula C12H10N6O2S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine
Also Known As: 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine, 8-{[(3-Nitrophenyl)methyl]sulfanyl}-7H-purin-6-amine
| Molecular Formula | C12H10N6O2S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 2.1356 |
| Topological Polar Surface Area | 123.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0586 |
| Heavy Atoms | 21 |
| Complexity | 818.3678 |
Chemical Identifiers
| CAS Number | 21318-76-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=NC=NC(=C3N2)N |
Product Overview
8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine (CAS 21318-76-3), with molecular formula C12H10N6O2S and molecular weight 302.06 g/mol. IUPAC: 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine.
Chemical Property Profile of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine
Property Insights of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine
The XLogP value of 2.1356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine. The TPSA of 123.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine. Following Lipinski's Rule of Five, 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine has 2 hydrogen bond donor(s) and 7 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-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine?
The CAS number of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine is 21318-76-3.
What is the molecular formula of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine?
The molecular formula of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine is C12H10N6O2S.
What is the molecular weight of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine?
The molecular weight of 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine is 302.06 g/mol.
Where can I buy 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine?
You can request a quote for 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.