![3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide structure](/static/products/4262/426229-65-4.webp)
3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
TL;DR: 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 426229-65-4) is a chemical compound with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Also Known As: 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide, 3-methoxy-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide, AN-988/40874909, N-(3-methoxybenzoyl)-N'-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea, 1-(3-METHOXYBENZOYL)-3-(2-PHENYL-1,2,3-BENZOTRIAZOL-5-YL)THIOUREA
| Molecular Formula | C21H17N5O2S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.5559 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.1103 |
| Heavy Atoms | 29 |
| Complexity | 1190.1383 |
Chemical Identifiers
| CAS Number | 426229-65-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4 |
Product Overview
3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 426229-65-4), with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol. IUPAC: 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Property Insights of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
The XLogP value of 3.5559 indicates that 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide has 2 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 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The CAS number of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 426229-65-4.
What is the molecular formula of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is C21H17N5O2S.
What is the molecular weight of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 403.11 g/mol.
Where can I buy 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.