(E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile
TL;DR: (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile (CAS 372976-58-4) is a chemical compound with molecular formula C25H27N3S and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-(2,4,6-trimethylanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile, (2E)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile, (E)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-(2,4,6-trimethylanilino)prop-2-enenitrile
| Molecular Formula | C25H27N3S |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 6.91044 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.19257 |
| Heavy Atoms | 29 |
| Complexity | 1043.1882 |
Chemical Identifiers
| CAS Number | 372976-58-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C)C |
Product Overview
(E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile (CAS 372976-58-4), with molecular formula C25H27N3S and molecular weight 401.19 g/mol. IUPAC: (E)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-(2,4,6-trimethylanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile
Property Insights of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile
The XLogP value of 6.91044 indicates that (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile?
The CAS number of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile is 372976-58-4.
What is the molecular formula of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile?
The molecular formula of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile is C25H27N3S.
What is the molecular weight of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile?
The molecular weight of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile is 401.19 g/mol.
Where can I buy (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile?
You can request a quote for (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-(mesitylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.