(2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 85460-28-2) is a chemical compound with molecular formula C17H12N2OS and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile, alpha-[(Z)-4-Methoxybenzylidene]benzothiazole-2-acetonitrile, (Z)-2-(benzo[d]thiazol-2-yl)-3-(4-methoxyphenyl)acrylonitrile, (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C17H12N2OS |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 4.36908 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.06705 |
| Heavy Atoms | 21 |
| Complexity | 808.10266 |
Chemical Identifiers
| CAS Number | 85460-28-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3S2 |
Product Overview
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 85460-28-2), with molecular formula C17H12N2OS and molecular weight 292.07 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 4.36908 indicates that (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile has 0 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 (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile is 85460-28-2.
What is the molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile is C17H12N2OS.
What is the molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile is 292.07 g/mol.
Where can I buy (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.