C21H18FN3S
TL;DR: C21H18FN3S (CAS 372972-84-4) is a chemical compound with molecular formula C21H18FN3S and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(4-fluorophenyl)thiazol-2-yl)-3-((2-isopropylphenyl)amino)acrylonitrile, (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile, (2E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile
| Molecular Formula | C21H18FN3S |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 6.04918 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.12054 |
| Heavy Atoms | 26 |
| Complexity | 965.4213 |
Chemical Identifiers
| CAS Number | 372972-84-4 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)F |
Product Overview
C21H18FN3S (CAS 372972-84-4), with molecular formula C21H18FN3S and molecular weight 363.12 g/mol. IUPAC: (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile.
Chemical Property Profile of C21H18FN3S
Property Insights of C21H18FN3S
The XLogP value of 6.04918 indicates that C21H18FN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, C21H18FN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H18FN3S 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 C21H18FN3S?
The CAS number of C21H18FN3S is 372972-84-4.
What is the molecular formula of C21H18FN3S?
The molecular formula of C21H18FN3S is C21H18FN3S.
What is the molecular weight of C21H18FN3S?
The molecular weight of C21H18FN3S is 363.12 g/mol.
Where can I buy C21H18FN3S?
You can request a quote for C21H18FN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18FN3S?
Yes, KEHONG BIO provides custom synthesis services for C21H18FN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.