6-(3-nitrophenyl)-1H-pteridine-2,4-dione
TL;DR: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione (CAS 64233-27-8) is a chemical compound with molecular formula C12H7N5O4 and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-nitrophenyl)-1H-pteridine-2,4-dione
Also Known As: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione, 6-(3-Nitrophenyl)pteridine-2,4(1H,3H)-dione
| Molecular Formula | C12H7N5O4 |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.0498 |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 64233-27-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN=C3C(=N2)C(=O)NC(=O)N3 |
| InChIKey | MZCXDUOMEJTAQT-UHFFFAOYSA-N |
Product Overview
6-(3-nitrophenyl)-1H-pteridine-2,4-dione (CAS 64233-27-8), with molecular formula C12H7N5O4 and molecular weight 285.05 g/mol. IUPAC: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione.
Chemical Property Profile of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione
Property Insights of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-nitrophenyl)-1H-pteridine-2,4-dione. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-nitrophenyl)-1H-pteridine-2,4-dione. Following Lipinski's Rule of Five, 6-(3-nitrophenyl)-1H-pteridine-2,4-dione has 2 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 6-(3-nitrophenyl)-1H-pteridine-2,4-dione?
The CAS number of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione is 64233-27-8.
What is the molecular formula of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione?
The molecular formula of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione is C12H7N5O4.
What is the molecular weight of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione?
The molecular weight of 6-(3-nitrophenyl)-1H-pteridine-2,4-dione is 285.05 g/mol.
Where can I buy 6-(3-nitrophenyl)-1H-pteridine-2,4-dione?
You can request a quote for 6-(3-nitrophenyl)-1H-pteridine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-nitrophenyl)-1H-pteridine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-nitrophenyl)-1H-pteridine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.