![(2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile structure](/static/products/6377/637748-83-5.webp)
(2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile (CAS 637748-83-5) is a chemical compound with molecular formula C17H13N3S and molecular weight 291.08 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-methylanilino)prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile, F3139-1318, (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(o-tolylamino)acrylonitrile, (2E)-2-benzothiazol-2-yl-3-[(2-methylphenyl)amino]prop-2-enenitrile
| Molecular Formula | C17H13N3S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 4.5813 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.083 |
| Heavy Atoms | 21 |
| Complexity | 822.5978 |
Chemical Identifiers
| CAS Number | 637748-83-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
Product Overview
(2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile (CAS 637748-83-5), with molecular formula C17H13N3S and molecular weight 291.08 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile
The XLogP value of 4.5813 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]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-methylphenyl)amino]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-[(2-methylphenyl)amino]prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile is 637748-83-5.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile is C17H13N3S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile is 291.08 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]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-methylphenyl)amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.