(S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate
TL;DR: (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate (CAS 956383-06-5) is a chemical compound with molecular formula C30H29NO7 and molecular weight 515.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
Also Known As: (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate, (2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
| Molecular Formula | C30H29NO7 |
|---|---|
| Molecular Weight | 515.19 g/mol |
| LogP | 5.4134 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1944 |
| Heavy Atoms | 38 |
| Complexity | 1454.2144 |
Chemical Identifiers
| CAS Number | 956383-06-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4 |
Product Overview
(S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate (CAS 956383-06-5), with molecular formula C30H29NO7 and molecular weight 515.19 g/mol. IUPAC: (2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate.
Chemical Property Profile of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate
Property Insights of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate
The XLogP value of 5.4134 indicates that (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate?
The CAS number of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate is 956383-06-5.
What is the molecular formula of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate?
The molecular formula of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate is C30H29NO7.
What is the molecular weight of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate?
The molecular weight of (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate is 515.19 g/mol.
Where can I buy (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate?
You can request a quote for (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-oxo-2H-chromen-7-yl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.