![4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide structure](/static/products/4284/428446-94-0.webp)
4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide
TL;DR: 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide (CAS 428446-94-0) is a chemical compound with molecular formula C22H18N6O4S and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide
Also Known As: 4-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide, 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide, 4-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-benzamide, 1-(4-METHOXY-3-NITROBENZOYL)-3-(6-METHYL-2-PHENYL-1,2,3-BENZOTRIAZOL-5-YL)THIOUREA, 4-methoxy-N-((6-methyl-2-phenyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-3-nitrobenzamide
| Molecular Formula | C22H18N6O4S |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 3.77252 |
| Topological Polar Surface Area | 124.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.11102 |
| Heavy Atoms | 33 |
| Complexity | 1386.6725 |
Chemical Identifiers
| CAS Number | 428446-94-0 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide (CAS 428446-94-0), with molecular formula C22H18N6O4S and molecular weight 462.11 g/mol. IUPAC: 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide
Property Insights of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide
The XLogP value of 3.77252 indicates that 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide has 2 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-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide?
The CAS number of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide is 428446-94-0.
What is the molecular formula of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide?
The molecular formula of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide is C22H18N6O4S.
What is the molecular weight of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide?
The molecular weight of 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide is 462.11 g/mol.
Where can I buy 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide?
You can request a quote for 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.