![4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide structure](/static/products/536/536986-53-5.png)
4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
TL;DR: 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide (CAS 536986-53-5) is a chemical compound with molecular formula C25H24ClN5O3S and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide, 4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide, 4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide, 4-(sec-butoxy)-N-((2-(3-chloro-4-methoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)benzamide
| Molecular Formula | C25H24ClN5O3S |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 5.3866 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.12885 |
| Heavy Atoms | 35 |
| Complexity | 1373.5475 |
Chemical Identifiers
| CAS Number | 536986-53-5 |
|---|---|
| SMILES | CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl |
Product Overview
4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide (CAS 536986-53-5), with molecular formula C25H24ClN5O3S and molecular weight 509.13 g/mol. IUPAC: 4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Property Insights of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
The XLogP value of 5.3866 indicates that 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide 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 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide. Following Lipinski's Rule of Five, 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide 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 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide?
The CAS number of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide is 536986-53-5.
What is the molecular formula of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide?
The molecular formula of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide is C25H24ClN5O3S.
What is the molecular weight of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide?
The molecular weight of 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide is 509.13 g/mol.
Where can I buy 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide?
You can request a quote for 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(butan-2-yloxy)-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.