![N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide structure](/static/products/4296/429652-57-3.webp)
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
TL;DR: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide (CAS 429652-57-3) is a chemical compound with molecular formula C25H18FN5O2S and molecular weight 471.12 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-methoxynaphthalene-2-carboxamide
Also Known As: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide, N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-methoxynaphthalene-2-carboxamide, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-naphthalene-2-carboxamide
| Molecular Formula | C25H18FN5O2S |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.8482 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.11652 |
| Heavy Atoms | 34 |
| Complexity | 1548.8506 |
Chemical Identifiers
| CAS Number | 429652-57-3 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F |
Product Overview
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide (CAS 429652-57-3), with molecular formula C25H18FN5O2S and molecular weight 471.12 g/mol. IUPAC: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide.
Chemical Property Profile of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
Property Insights of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
The XLogP value of 4.8482 indicates that N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide 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 N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide. Following Lipinski's Rule of Five, N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide 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 N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
The CAS number of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide is 429652-57-3.
What is the molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
The molecular formula of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide is C25H18FN5O2S.
What is the molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
The molecular weight of N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide is 471.12 g/mol.
Where can I buy N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
You can request a quote for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide 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-methoxynaphthalene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.