2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate
TL;DR: 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate (CAS 522651-45-2) is a chemical compound with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate
Also Known As: 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate, 2-Oxo-2-[(4,5,6,7-tetrahydro-2-benzothiazolyl)amino]ethyl 2-phenyl-4-quinolinecarboxylate, 4,5,6,7-tetrahydrobenzothiazol-2-ylcarbamoylmethyl 2-phenylquinoline-4-carboxylate, [(4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]METHYL 2-PHENYLQUINOLINE-4-CARBOXYLATE, [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate
| Molecular Formula | C25H21N3O3S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 5.0326 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.13037 |
| Heavy Atoms | 32 |
| Complexity | 1277.0435 |
Chemical Identifiers
| CAS Number | 522651-45-2 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate (CAS 522651-45-2), with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol. IUPAC: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] 2-phenylquinoline-4-carboxylate.
Chemical Property Profile of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate
Property Insights of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate
The XLogP value of 5.0326 indicates that 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate. Following Lipinski's Rule of Five, 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate has 1 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 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate?
The CAS number of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate is 522651-45-2.
What is the molecular formula of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate?
The molecular formula of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate is C25H21N3O3S.
What is the molecular weight of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate?
The molecular weight of 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate is 443.13 g/mol.
Where can I buy 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate?
You can request a quote for 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl 2-phenylquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.