Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone
TL;DR: Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone (CAS 330215-97-9) is a chemical compound with molecular formula C14H10N4O4 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone
Also Known As: BAS 00785197, benzotriazolyl 4-methoxy-3-nitrophenyl ketone, benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone, 1H-benzotriazol-1-yl(4-methoxy-3-nitrophenyl)methanone, Benzotriazol-1-yl-(4-methoxy-3-nitro-phenyl)-methanone
| Molecular Formula | C14H10N4O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0702 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 330215-97-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] |
| InChIKey | WCQXFSFPDKBEIH-UHFFFAOYSA-N |
Product Overview
Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone (CAS 330215-97-9), with molecular formula C14H10N4O4 and molecular weight 298.07 g/mol. IUPAC: benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone.
Chemical Property Profile of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone
Property Insights of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone has 0 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 Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone?
The CAS number of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone is 330215-97-9.
What is the molecular formula of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone?
The molecular formula of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone is C14H10N4O4.
What is the molecular weight of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone?
The molecular weight of Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone is 298.07 g/mol.
Where can I buy Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone?
You can request a quote for Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-(4-methoxy-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.