(2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile (CAS 333434-87-0) is a chemical compound with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
Also Known As: BAS 01373329, (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(2,5-dimethoxyphenyl)acrylonitrile, AB00098953-01, 2-Benzothiazol-2-yl-3-(2,5-dimethoxy-phenyl)-acrylonitrile
| Molecular Formula | C18H14N2O2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.37768 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0776 |
| Heavy Atoms | 23 |
| Complexity | 889.16144 |
Chemical Identifiers
| CAS Number | 333434-87-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
Product Overview
(2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile (CAS 333434-87-0), with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
The XLogP value of 4.37768 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile has 0 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)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile is 333434-87-0.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile is C18H14N2O2S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile is 322.08 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)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 (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.