(4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate
TL;DR: (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate (CAS 4323-09-5) is a chemical compound with molecular formula C13H9N5O4S and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate
Also Known As: (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate, 4-Nitrophenyl (6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)acetate
| Molecular Formula | C13H9N5O4S |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 2.00269 |
| Topological Polar Surface Area | 115.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.03754 |
| Heavy Atoms | 23 |
| Complexity | 946.9033 |
Chemical Identifiers
| CAS Number | 4323-09-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CN2C=NC3=C2NC=NC3=S |
Product Overview
(4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate (CAS 4323-09-5), with molecular formula C13H9N5O4S and molecular weight 331.04 g/mol. IUPAC: (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate.
Chemical Property Profile of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate
Property Insights of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate
The XLogP value of 2.00269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate. The TPSA of 115.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate. Following Lipinski's Rule of Five, (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate has 1 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 (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate?
The CAS number of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate is 4323-09-5.
What is the molecular formula of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate?
The molecular formula of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate is C13H9N5O4S.
What is the molecular weight of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate?
The molecular weight of (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate is 331.04 g/mol.
Where can I buy (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate?
You can request a quote for (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.