(S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956181-30-9) is a chemical compound with molecular formula C31H27ClN2O6 and molecular weight 558.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate, (6-chloro-2-oxo-4-phenylchromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C31H27ClN2O6 |
|---|---|
| Molecular Weight | 558.16 g/mol |
| LogP | 6.6361 |
| Topological Polar Surface Area | 110.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.15576 |
| Heavy Atoms | 40 |
| Complexity | 1768.3191 |
Chemical Identifiers
| CAS Number | 956181-30-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC3=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl |
Product Overview
(S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956181-30-9), with molecular formula C31H27ClN2O6 and molecular weight 558.16 g/mol. IUPAC: (6-chloro-2-oxo-4-phenylchromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 6.6361 indicates that (S)-6-chloro-2-oxo-4-phenyl-2H-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 110.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 956181-30-9.
What is the molecular formula of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is C31H27ClN2O6.
What is the molecular weight of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 558.16 g/mol.
Where can I buy (S)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-6-chloro-2-oxo-4-phenyl-2H-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)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-2-oxo-4-phenyl-2H-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.