![9-[(3-nitrophenyl)methyl]-3H-purine-6-thione structure](/static/products/6945/6945-06-8.webp)
9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
TL;DR: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione (CAS 6945-06-8) is a chemical compound with molecular formula C12H9N5O2S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
Also Known As: NCIOpen2_002515, 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione, 9-[(3-Nitrophenyl)methyl]-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C12H9N5O2S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.44539 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0477 |
| Heavy Atoms | 20 |
| Complexity | 854.175 |
Chemical Identifiers
| CAS Number | 6945-06-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2NC=NC3=S |
Product Overview
9-[(3-nitrophenyl)methyl]-3H-purine-6-thione (CAS 6945-06-8), with molecular formula C12H9N5O2S and molecular weight 287.05 g/mol. IUPAC: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione.
Chemical Property Profile of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
Property Insights of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
The XLogP value of 2.44539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione. Following Lipinski's Rule of Five, 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione 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 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione?
The CAS number of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione is 6945-06-8.
What is the molecular formula of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione?
The molecular formula of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione is C12H9N5O2S.
What is the molecular weight of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione?
The molecular weight of 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione is 287.05 g/mol.
Where can I buy 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione?
You can request a quote for 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.