![(1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride structure](/static/products/340/340029-68-7.png)
(1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride
TL;DR: (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride (CAS 340029-68-7) is a chemical compound with molecular formula C13H9ClF6N4O2S and molecular weight 434.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-N-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanimidoyl chloride
Also Known As: (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride, (1E)-N-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanimidoyl chloride, (E)-N-((2-(3-(benzo[d]thiazol-2-yl)ureido)-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)acetimidoyl chloride
| Molecular Formula | C13H9ClF6N4O2S |
|---|---|
| Molecular Weight | 434.00 g/mol |
| LogP | 4.8275 |
| Topological Polar Surface Area | 75.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.0039 |
| Heavy Atoms | 27 |
| Complexity | 815.3422 |
Chemical Identifiers
| CAS Number | 340029-68-7 |
|---|---|
| SMILES | C/C(=N\OC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC2=CC=CC=C2S1)/Cl |
Product Overview
(1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride (CAS 340029-68-7), with molecular formula C13H9ClF6N4O2S and molecular weight 434.00 g/mol. IUPAC: (1E)-N-[2-(1,3-benzothiazol-2-ylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanimidoyl chloride.
Chemical Property Profile of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride
Property Insights of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride
The XLogP value of 4.8275 indicates that (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride. Following Lipinski's Rule of Five, (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride 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 (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride?
The CAS number of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride is 340029-68-7.
What is the molecular formula of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride?
The molecular formula of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride is C13H9ClF6N4O2S.
What is the molecular weight of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride?
The molecular weight of (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride is 434.00 g/mol.
Where can I buy (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride?
You can request a quote for (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (1E)-N-({2-[(1,3-benzothiazol-2-ylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}oxy)ethanimidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.