![N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide structure](/static/products/4454/445417-99-2.webp)
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide
TL;DR: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide (CAS 445417-99-2) is a chemical compound with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide
Also Known As: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide, AN-465/41162998, N-{[2-(4-butylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}furan-2-carboxamide, N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-N'-(2-furoyl)thiourea, N-((2-(4-butylphenyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)furan-2-carboxamide
| Molecular Formula | C22H21N5O2S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 4.4829 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1416 |
| Heavy Atoms | 30 |
| Complexity | 1166.1963 |
Chemical Identifiers
| CAS Number | 445417-99-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CO4 |
Product Overview
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide (CAS 445417-99-2), with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol. IUPAC: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide
Property Insights of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide
The XLogP value of 4.4829 indicates that N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide. Following Lipinski's Rule of Five, N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-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-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide?
The CAS number of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide is 445417-99-2.
What is the molecular formula of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide?
The molecular formula of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide is C22H21N5O2S.
What is the molecular weight of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide?
The molecular weight of N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide is 419.14 g/mol.
Where can I buy N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide?
You can request a quote for N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-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-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.