![(E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate structure](/static/products/315/315677-82-8.png)
(E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate
TL;DR: (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate (CAS 315677-82-8) is a chemical compound with molecular formula C23H15N3O3S and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] pyridine-4-carboxylate
Also Known As: F0863-0070, (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate, [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] pyridine-4-carboxylate
| Molecular Formula | C23H15N3O3S |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 4.98328 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0834 |
| Heavy Atoms | 30 |
| Complexity | 1257.0498 |
Chemical Identifiers
| CAS Number | 315677-82-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=NC=C4 |
Product Overview
(E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate (CAS 315677-82-8), with molecular formula C23H15N3O3S and molecular weight 413.08 g/mol. IUPAC: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] pyridine-4-carboxylate.
Chemical Property Profile of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate
Property Insights of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate
The XLogP value of 4.98328 indicates that (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate. Following Lipinski's Rule of Five, (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate has 0 hydrogen bond donor(s) and 7 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)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate?
The CAS number of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate is 315677-82-8.
What is the molecular formula of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate?
The molecular formula of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate is C23H15N3O3S.
What is the molecular weight of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate?
The molecular weight of (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate is 413.08 g/mol.
Where can I buy (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate?
You can request a quote for (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.