![(2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid structure](/static/products/121/1212142-31-8.png)
(2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid
TL;DR: (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid (CAS 1212142-31-8) is a chemical compound with molecular formula C30H24N2O9 and molecular weight 556.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid
Also Known As: (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid, (S)-2-(2-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy)acetamido)-3-(1H-indol-3-yl)propanoic acid
| Molecular Formula | C30H24N2O9 |
|---|---|
| Molecular Weight | 556.15 g/mol |
| LogP | 3.609 |
| Topological Polar Surface Area | 160.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.1482 |
| Heavy Atoms | 41 |
| Complexity | 1856.7213 |
Chemical Identifiers
| CAS Number | 1212142-31-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)OCC(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O |
Product Overview
(2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid (CAS 1212142-31-8), with molecular formula C30H24N2O9 and molecular weight 556.15 g/mol. IUPAC: (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid
Property Insights of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid
The XLogP value of 3.609 indicates that (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.32 Ų indicates high polarity, suggesting (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid has 4 hydrogen bond donor(s) and 8 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-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The CAS number of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid is 1212142-31-8.
What is the molecular formula of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The molecular formula of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid is C30H24N2O9.
What is the molecular weight of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The molecular weight of (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid is 556.15 g/mol.
Where can I buy (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
You can request a quote for (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic 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-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.