![ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate structure](/static/products/255/255714-73-9.png)
ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
TL;DR: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate (CAS 255714-73-9) is a chemical compound with molecular formula C19H15ClF3N3O3S and molecular weight 457.05 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-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate, ethyl 2-(benzo[d]thiazol-2-ylamino)-2-(3-chlorobenzamido)-3,3,3-trifluoropropanoate, Ethyl 2-(benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-propanoate, ethyl (E)-N-1,3-benzothiazol-2(3H)-ylidene-2-{[(3-chlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
| Molecular Formula | C19H15ClF3N3O3S |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 4.6133 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0475 |
| Heavy Atoms | 30 |
| Complexity | 1056.317 |
Chemical Identifiers
| CAS Number | 255714-73-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate (CAS 255714-73-9), with molecular formula C19H15ClF3N3O3S and molecular weight 457.05 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Property Insights of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
The XLogP value of 4.6133 indicates that ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-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-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
The CAS number of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate is 255714-73-9.
What is the molecular formula of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
The molecular formula of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate is C19H15ClF3N3O3S.
What is the molecular weight of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
The molecular weight of ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate is 457.05 g/mol.
Where can I buy ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
You can request a quote for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-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-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.