![(2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid structure](/static/products/874/874374-40-0.png)
(2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid
TL;DR: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid (CAS 874374-40-0) is a chemical compound with molecular formula C28H22F3NO7 and molecular weight 541.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid
Also Known As: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid, (S)-2-(((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoic acid
| Molecular Formula | C28H22F3NO7 |
|---|---|
| Molecular Weight | 541.13 g/mol |
| LogP | 4.7411 |
| Topological Polar Surface Area | 118.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.1348 |
| Heavy Atoms | 39 |
| Complexity | 1599.3152 |
Chemical Identifiers
| CAS Number | 874374-40-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=C(OC4=C(C3=O)C=CC(=C4CN[C@@H](CC5=CC=CC=C5)C(=O)O)O)C(F)(F)F |
Product Overview
(2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid (CAS 874374-40-0), with molecular formula C28H22F3NO7 and molecular weight 541.13 g/mol. IUPAC: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid.
Chemical Property Profile of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid
Property Insights of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid
The XLogP value of 4.7411 indicates that (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid?
The CAS number of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid is 874374-40-0.
What is the molecular formula of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid?
The molecular formula of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid is C28H22F3NO7.
What is the molecular weight of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid?
The molecular weight of (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid is 541.13 g/mol.
Where can I buy (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid?
You can request a quote for (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.