(S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956325-14-7) is a chemical compound with molecular formula C36H30N2O6 and molecular weight 586.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate, (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 3-(1H-indol-3-yl)-2-phenylmethoxycarbonylamino-propanoate, (3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C36H30N2O6 |
|---|---|
| Molecular Weight | 586.21 g/mol |
| LogP | 6.61662 |
| Topological Polar Surface Area | 110.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 586.2104 |
| Heavy Atoms | 44 |
| Complexity | 1996.4861 |
Chemical Identifiers
| CAS Number | 956325-14-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5)CC6=CC=CC=C6 |
Product Overview
(S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956325-14-7), with molecular formula C36H30N2O6 and molecular weight 586.21 g/mol. IUPAC: (3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 6.61662 indicates that (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)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)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)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)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is 956325-14-7.
What is the molecular formula of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is C36H30N2O6.
What is the molecular weight of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate is 586.21 g/mol.
Where can I buy (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)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-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.