inS3-54A18
TL;DR: inS3-54A18 (CAS 328998-53-4) is a chemical compound with molecular formula C23H16ClNO2 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-hydroxyphenyl)-5-phenylpyrrol-2-one
Also Known As: inS3-54A18, inS3-54-A18, inS3-54A18?, (3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-hydroxyphenyl)-5-phenylpyrrol-2-one, 3-(4-Chlorobenzylidene)-1-(4-hydroxyphenyl)-5-phenyl-1,3-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H16ClNO2 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 5.5169 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.08694 |
| Heavy Atoms | 27 |
| Complexity | 1036.0012 |
Chemical Identifiers
| CAS Number | 328998-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C/C(=C/C3=CC=C(C=C3)Cl)/C(=O)N2C4=CC=C(C=C4)O |
Product Overview
inS3-54A18 (CAS 328998-53-4), with molecular formula C23H16ClNO2 and molecular weight 373.09 g/mol. IUPAC: (3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-hydroxyphenyl)-5-phenylpyrrol-2-one.
Chemical Property Profile of inS3-54A18
Property Insights of inS3-54A18
The XLogP value of 5.5169 indicates that inS3-54A18 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, inS3-54A18 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, inS3-54A18 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of inS3-54A18?
The CAS number of inS3-54A18 is 328998-53-4.
What is the molecular formula of inS3-54A18?
The molecular formula of inS3-54A18 is C23H16ClNO2.
What is the molecular weight of inS3-54A18?
The molecular weight of inS3-54A18 is 373.09 g/mol.
Where can I buy inS3-54A18?
You can request a quote for inS3-54A18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for inS3-54A18?
Yes, KEHONG BIO provides custom synthesis services for inS3-54A18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.