![N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide structure](/static/products/4288/428825-44-9.webp)
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
TL;DR: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide (CAS 428825-44-9) is a chemical compound with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide, N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide, N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-benzofuran-2-carboxamide, 1-[2-(4-ETHOXYPHENYL)-2H-1,2,3-BENZOTRIAZOL-5-YL]-3-(3-METHYL-1-BENZOFURAN-2-CARBONYL)THIOUREA
| Molecular Formula | C25H21N5O3S |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 5.00062 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1365 |
| Heavy Atoms | 34 |
| Complexity | 1521.1975 |
Chemical Identifiers
| CAS Number | 428825-44-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C |
Product Overview
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide (CAS 428825-44-9), with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol. IUPAC: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Property Insights of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
The XLogP value of 5.00062 indicates that N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The CAS number of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is 428825-44-9.
What is the molecular formula of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The molecular formula of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is C25H21N5O3S.
What is the molecular weight of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The molecular weight of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is 471.14 g/mol.
Where can I buy N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
You can request a quote for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-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-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.