(Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid
TL;DR: (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid (CAS 145900-61-4) is a chemical compound with molecular formula C22H20FNO4S and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]acetic acid
Also Known As: (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid, 2-[[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]acetic acid
| Molecular Formula | C22H20FNO4S |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 3.4817 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.1097 |
| Heavy Atoms | 29 |
| Complexity | 1070.7198 |
Chemical Identifiers
| CAS Number | 145900-61-4 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)NCC(=O)O |
Product Overview
(Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid (CAS 145900-61-4), with molecular formula C22H20FNO4S and molecular weight 413.11 g/mol. IUPAC: 2-[[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]acetic acid.
Chemical Property Profile of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid
Property Insights of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid
The XLogP value of 3.4817 indicates that (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid. Following Lipinski's Rule of Five, (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid?
The CAS number of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid is 145900-61-4.
What is the molecular formula of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid?
The molecular formula of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid is C22H20FNO4S.
What is the molecular weight of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid?
The molecular weight of (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid is 413.11 g/mol.
Where can I buy (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid?
You can request a quote for (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.