(2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
TL;DR: (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide (CAS 600124-27-4) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
Also Known As: (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide, (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide, (2E)-N-(5,5-dimethyl-7-oxo(4,5,6-trihydrobenzothiazol-2-yl))-3-(2-nitrophenyl) prop-2-enamide
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.8583 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 930.26746 |
Chemical Identifiers
| CAS Number | 600124-27-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])C |
Product Overview
(2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide (CAS 600124-27-4), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
Property Insights of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
The XLogP value of 3.8583 indicates that (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide has 1 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 (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide?
The CAS number of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is 600124-27-4.
What is the molecular formula of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide?
The molecular formula of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is C18H17N3O4S.
What is the molecular weight of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide?
The molecular weight of (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is 371.09 g/mol.
Where can I buy (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide?
You can request a quote for (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.