(2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile (CAS 401638-96-8) is a chemical compound with molecular formula C16H10N2OS and molecular weight 278.05 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-(3-hydroxyphenyl)prop-2-enenitrile
Also Known As: BAS 01083158, VU0492670-1, (2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-(3-HYDROXYPHENYL)PROP-2-ENENITRILE, (E)-2-(benzo[d]thiazol-2-yl)-3-(3-hydroxyphenyl)acrylonitrile, F3139-0986
| Molecular Formula | C16H10N2OS |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 4.06608 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0514 |
| Heavy Atoms | 20 |
| Complexity | 809.8042 |
Chemical Identifiers
| CAS Number | 401638-96-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=CC=C3)O)/C#N |
Product Overview
(2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile (CAS 401638-96-8), with molecular formula C16H10N2OS and molecular weight 278.05 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile
The XLogP value of 4.06608 indicates that (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.91 Ų, (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)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-(3-hydroxyphenyl)prop-2-enenitrile 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 (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile is 401638-96-8.
What is the molecular formula of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile is C16H10N2OS.
What is the molecular weight of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile is 278.05 g/mol.
Where can I buy (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)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-(3-hydroxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-Benzothiazol-2-YL)-3-(3-hydroxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.