![(2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid structure](/static/products/956/956040-90-7.png)
(2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid
TL;DR: (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid (CAS 956040-90-7) is a chemical compound with molecular formula C28H20FNO6 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-2-phenylacetic acid
Also Known As: (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid, (2S)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-2-phenylacetic acid, (S)-2-(2-(3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-2-phenylacetic acid, 2-{2-[3-(4-FLUOROPHENYL)-5-METHYL-7-OXO-7H-FURO[3,2-G]CHROMEN-6-YL]ACETAMIDO}-2-PHENYLACETIC ACID
| Molecular Formula | C28H20FNO6 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 5.13832 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.12747 |
| Heavy Atoms | 36 |
| Complexity | 1668.5139 |
Chemical Identifiers
| CAS Number | 956040-90-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)F)CC(=O)N[C@@H](C5=CC=CC=C5)C(=O)O |
Product Overview
(2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid (CAS 956040-90-7), with molecular formula C28H20FNO6 and molecular weight 485.13 g/mol. IUPAC: (2S)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-2-phenylacetic acid.
Chemical Property Profile of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid
Property Insights of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid
The XLogP value of 5.13832 indicates that (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid. Following Lipinski's Rule of Five, (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid has 2 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 (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid?
The CAS number of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid is 956040-90-7.
What is the molecular formula of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid?
The molecular formula of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid is C28H20FNO6.
What is the molecular weight of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid?
The molecular weight of (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid is 485.13 g/mol.
Where can I buy (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid?
You can request a quote for (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-({[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.