![N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide structure](/static/products/4319/431933-45-8.webp)
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
TL;DR: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 431933-45-8) is a chemical compound with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide, 1-(1-BENZOFURAN-2-CARBONYL)-3-[2-(3-CHLORO-4-METHOXYPHENYL)-6-METHYL-1,2,3-BENZOTRIAZOL-5-YL]THIOUREA, benzo[d]furan-2-yl-N-({[2-(3-chloro-4-methoxyphenyl)-6-methyl(2-hydrobenzotria zol-5-yl)]amino}thioxomethyl)carboxamide, N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
| Molecular Formula | C24H18ClN5O3S |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 5.26392 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.08188 |
| Heavy Atoms | 34 |
| Complexity | 1542.9897 |
Chemical Identifiers
| CAS Number | 431933-45-8 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C5=CC(=C(C=C5)OC)Cl |
Product Overview
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 431933-45-8), with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
Property Insights of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
The XLogP value of 5.26392 indicates that N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-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-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-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-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
The CAS number of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is 431933-45-8.
What is the molecular formula of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular formula of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is C24H18ClN5O3S.
What is the molecular weight of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular weight of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is 491.08 g/mol.
Where can I buy N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
You can request a quote for N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-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-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.