6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺
TL;DR: 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 (CAS 5069-64-7) 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.
6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺
6-[(4-nitrophenyl)methylsulfanyl]-5H-purin-2-amine
Also Known As: 6-((4-Nitrobenzyl)thio)-5H-purin-2-amine, 6-[(4-nitrophenyl)methylsulfanyl]-5H-purin-2-amine
| Molecular Formula | C12H10N6O2S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0586 |
| Heavy Atoms | 21 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 5069-64-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC(=NC3=NC=NC32)N)[N+](=O)[O-] |
| InChIKey | DPJLUKRXYDWXME-UHFFFAOYSA-N |
Product Overview
6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 (CAS 5069-64-7), with molecular formula C12H10N6O2S and molecular weight 302.06 g/mol. IUPAC: 6-[(4-nitrophenyl)methylsulfanyl]-5H-purin-2-amine.
Chemical Property Profile of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺
Property Insights of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺. The TPSA of 147.0 Ų indicates high polarity, suggesting 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 has 1 hydrogen bond donor(s) and 4 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 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺?
The CAS number of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 is 5069-64-7.
What is the molecular formula of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺?
The molecular formula of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 is C12H10N6O2S.
What is the molecular weight of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺?
The molecular weight of 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 is 302.06 g/mol.
Where can I buy 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺?
You can request a quote for 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-硝基苄基)硫基)-5H-嘌呤-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.