Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-
TL;DR: Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- (CAS 326901-49-9) is a chemical compound with molecular formula C14H10N4O3 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(4-methyl-3-nitrophenyl)methanone
Also Known As: BAS 00626801, Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-, benzotriazol-1-yl-(4-methyl-3-nitrophenyl)methanone, benzotriazolyl 4-methyl-3-nitrophenyl ketone, 1-(4-Methyl-3-nitrobenzoyl)-1H-1,2,3-benzotriazole
| Molecular Formula | C14H10N4O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.0753 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 326901-49-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] |
| InChIKey | XWKFGJPXWSWHDR-UHFFFAOYSA-N |
Product Overview
Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- (CAS 326901-49-9), with molecular formula C14H10N4O3 and molecular weight 282.08 g/mol. IUPAC: benzotriazol-1-yl-(4-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-
Property Insights of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-. Following Lipinski's Rule of Five, Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- has 0 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 Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-?
The CAS number of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- is 326901-49-9.
What is the molecular formula of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-?
The molecular formula of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- is C14H10N4O3.
What is the molecular weight of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-?
The molecular weight of Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- is 282.08 g/mol.
Where can I buy Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-?
You can request a quote for Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazole, 1-(4-methyl-3-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.