2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
TL;DR: 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate (CAS 312288-06-5) is a chemical compound with molecular formula C13H11F3N2O3S and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Also Known As: 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate, A1802/0076176, 2,2,2-trifluoroethyl 3-(N-benzothiazol-2-ylcarbamoyl)propanoate, 2,2,2-trifluoroethyl 4-(benzo[d]thiazol-2-ylamino)-4-oxobutanoate, 2,2,2-TRIFLUOROETHYL 3-[(1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]PROPANOATE
| Molecular Formula | C13H11F3N2O3S |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 3.1205 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.04425 |
| Heavy Atoms | 22 |
| Complexity | 651.46533 |
Chemical Identifiers
| CAS Number | 312288-06-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate (CAS 312288-06-5), with molecular formula C13H11F3N2O3S and molecular weight 332.04 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Property Insights of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
The XLogP value of 3.1205 indicates that 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate has 1 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 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
The CAS number of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is 312288-06-5.
What is the molecular formula of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
The molecular formula of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is C13H11F3N2O3S.
What is the molecular weight of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
The molecular weight of 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is 332.04 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
You can request a quote for 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.