![(S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate structure](/static/products/956/956040-27-0.png)
(S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956040-27-0) is a chemical compound with molecular formula C33H30N2O8 and molecular weight 582.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate, [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C33H30N2O8 |
|---|---|
| Molecular Weight | 582.20 g/mol |
| LogP | 5.7539 |
| Topological Polar Surface Area | 129.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 582.2002 |
| Heavy Atoms | 43 |
| Complexity | 1899.1434 |
Chemical Identifiers
| CAS Number | 956040-27-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC6=C(C=C5)OCCO6 |
Product Overview
(S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956040-27-0), with molecular formula C33H30N2O8 and molecular weight 582.20 g/mol. IUPAC: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 5.7539 indicates that (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate has 2 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 (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 956040-27-0.
What is the molecular formula of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is C33H30N2O8.
What is the molecular weight of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 582.20 g/mol.
Where can I buy (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.