(2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile
TL;DR: (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile (CAS 372971-29-4) is a chemical compound with molecular formula C19H13BrClN3OS and molecular weight 444.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile
Also Known As: (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile, (Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-3-((5-chloro-2-methoxyphenyl)amino)acrylonitrile, (Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxy-phenyl)amino]prop-2-enenitrile
| Molecular Formula | C19H13BrClN3OS |
|---|---|
| Molecular Weight | 444.97 g/mol |
| LogP | 6.21118 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.96512 |
| Heavy Atoms | 26 |
| Complexity | 992.764 |
Chemical Identifiers
| CAS Number | 372971-29-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)Br |
Product Overview
(2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile (CAS 372971-29-4), with molecular formula C19H13BrClN3OS and molecular weight 444.97 g/mol. IUPAC: (Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile
Property Insights of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile
The XLogP value of 6.21118 indicates that (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)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 57.94 Ų, (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile?
The CAS number of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile is 372971-29-4.
What is the molecular formula of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile?
The molecular formula of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile is C19H13BrClN3OS.
What is the molecular weight of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile?
The molecular weight of (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile is 444.97 g/mol.
Where can I buy (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile?
You can request a quote for (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)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 (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.