(S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
TL;DR: (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 956436-69-4) is a chemical compound with molecular formula C35H31NO6 and molecular weight 561.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate, (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 3-phenyl-2-phenylmethoxycarbonylamino-propanoate, (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C35H31NO6 |
|---|---|
| Molecular Weight | 561.22 g/mol |
| LogP | 6.44374 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.21515 |
| Heavy Atoms | 42 |
| Complexity | 1747.651 |
Chemical Identifiers
| CAS Number | 956436-69-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
Product Overview
(S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 956436-69-4), with molecular formula C35H31NO6 and molecular weight 561.22 g/mol. IUPAC: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
Property Insights of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
The XLogP value of 6.44374 indicates that (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate has 1 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-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The CAS number of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 956436-69-4.
What is the molecular formula of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The molecular formula of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is C35H31NO6.
What is the molecular weight of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The molecular weight of (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 561.22 g/mol.
Where can I buy (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
You can request a quote for (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate 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-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.