ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
TL;DR: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate (CAS 298683-51-9) is a chemical compound with molecular formula C15H17F3N4O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate, ethyl 2-(1,3-benzothiazol-2-ylamino)-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate, ethyl 2-(benzo[d]thiazol-2-ylamino)-2-(3,3-dimethylureido)-3,3,3-trifluoropropanoate, ETHYL 2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-2-[(DIMETHYLCARBAMOYL)AMINO]-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C15H17F3N4O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 2.8011 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09735 |
| Heavy Atoms | 26 |
| Complexity | 775.7757 |
Chemical Identifiers
| CAS Number | 298683-51-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)N(C)C |
Product Overview
ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate (CAS 298683-51-9), with molecular formula C15H17F3N4O3S and molecular weight 390.10 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
Property Insights of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate
The XLogP value of 2.8011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate has 2 hydrogen bond donor(s) and 6 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 ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate?
The CAS number of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate is 298683-51-9.
What is the molecular formula of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate?
The molecular formula of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate is C15H17F3N4O3S.
What is the molecular weight of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate?
The molecular weight of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate is 390.10 g/mol.
Where can I buy ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate?
You can request a quote for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.