(E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide
TL;DR: (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide (CAS 599187-23-2) is a chemical compound with molecular formula C18H17ClN2O2S and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide
Also Known As: (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide, (2E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acrylamide, (2E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide, (2E)-N-(5,5-dimethyl-7-oxo(4,5,6-trihydrobenzothiazol-2-yl))-3-(4-chlorophenyl )prop-2-enamide, (E)-3-(4-CHLOROPHENYL)-N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)-2-PROPENAMIDE
| Molecular Formula | C18H17ClN2O2S |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 4.6035 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.06992 |
| Heavy Atoms | 24 |
| Complexity | 822.0444 |
Chemical Identifiers
| CAS Number | 599187-23-2 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)/C=C/C3=CC=C(C=C3)Cl)C |
Product Overview
(E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide (CAS 599187-23-2), with molecular formula C18H17ClN2O2S and molecular weight 360.07 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide
Property Insights of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide
The XLogP value of 4.6035 indicates that (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 4 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 (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide?
The CAS number of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide is 599187-23-2.
What is the molecular formula of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide?
The molecular formula of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide is C18H17ClN2O2S.
What is the molecular weight of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide?
The molecular weight of (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide is 360.07 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide?
You can request a quote for (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)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 (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.