C32H21FN4OS
TL;DR: C32H21FN4OS (CAS 1010868-13-9) is a chemical compound with molecular formula C32H21FN4OS and molecular weight 528.14 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-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
| Molecular Formula | C32H21FN4OS |
|---|---|
| Molecular Weight | 528.14 g/mol |
| LogP | 7.93128 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.142 |
| Heavy Atoms | 39 |
| Complexity | 1816.5131 |
Chemical Identifiers
| CAS Number | 1010868-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4F)/C=C(\C#N)/C5=NC6=CC=CC=C6S5 |
Product Overview
C32H21FN4OS (CAS 1010868-13-9), with molecular formula C32H21FN4OS and molecular weight 528.14 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of C32H21FN4OS
Property Insights of C32H21FN4OS
The XLogP value of 7.93128 indicates that C32H21FN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for C32H21FN4OS. Following Lipinski's Rule of Five, C32H21FN4OS has 0 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 C32H21FN4OS?
The CAS number of C32H21FN4OS is 1010868-13-9.
What is the molecular formula of C32H21FN4OS?
The molecular formula of C32H21FN4OS is C32H21FN4OS.
What is the molecular weight of C32H21FN4OS?
The molecular weight of C32H21FN4OS is 528.14 g/mol.
Where can I buy C32H21FN4OS?
You can request a quote for C32H21FN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H21FN4OS?
Yes, KEHONG BIO provides custom synthesis services for C32H21FN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.