![N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide structure](/static/products/4296/429656-29-1.webp)
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide
TL;DR: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide (CAS 429656-29-1) is a chemical compound with molecular formula C22H18FN5O3S and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide
Also Known As: AM-879/40742854, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide, N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3,5-dimethoxybenzamide, N-(3,5-dimethoxybenzoyl)-N'-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea
| Molecular Formula | C22H18FN5O3S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 3.7036 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.11145 |
| Heavy Atoms | 32 |
| Complexity | 1284.6727 |
Chemical Identifiers
| CAS Number | 429656-29-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OC |
Product Overview
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide (CAS 429656-29-1), with molecular formula C22H18FN5O3S and molecular weight 451.11 g/mol. IUPAC: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide
Property Insights of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide
The XLogP value of 3.7036 indicates that N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide 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 N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide?
The CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide is 429656-29-1.
What is the molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide?
The molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide is C22H18FN5O3S.
What is the molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide?
The molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide is 451.11 g/mol.
Where can I buy N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide?
You can request a quote for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.