(2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
TL;DR: (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide (CAS 170802-57-0) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
Also Known As: BAS 02168729, N-Benzothiazol-2-yl-2-cyano-3-(4-methoxy-phenyl)-acrylamide, (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide, (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide, (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(4-methoxyphenyl)acrylamide
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 170802-57-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | ZEIRWRVJCUGRMB-JLHYYAGUSA-N |
Product Overview
(2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide (CAS 170802-57-0), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
Property Insights of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
The XLogP value of 4.4 indicates that (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide 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 (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The CAS number of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is 170802-57-0.
What is the molecular formula of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The molecular formula of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is C18H13N3O2S.
What is the molecular weight of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The molecular weight of (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is 335.07 g/mol.
Where can I buy (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
You can request a quote for (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)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-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-benzothiazol-2-yl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.