(S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
TL;DR: (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 956044-53-4) is a chemical compound with molecular formula C29H27NO6 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate, (3,4,7-trimethyl-2-oxo-chromen-5-yl) 3-phenyl-2-phenylmethoxycarbonylamino-propanoate, (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate, 3,4,7-TRIMETHYL-2-OXO-2H-CHROMEN-5-YL 2-{[(BENZYLOXY)CARBONYL]AMINO}-3-PHENYLPROPANOATE
| Molecular Formula | C29H27NO6 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 5.16136 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.18384 |
| Heavy Atoms | 36 |
| Complexity | 1443.8613 |
Chemical Identifiers
| CAS Number | 956044-53-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
Product Overview
(S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 956044-53-4), with molecular formula C29H27NO6 and molecular weight 485.18 g/mol. IUPAC: (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
Property Insights of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
The XLogP value of 5.16136 indicates that (S)-3,4,7-trimethyl-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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-3,4,7-trimethyl-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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The CAS number of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 956044-53-4.
What is the molecular formula of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The molecular formula of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is C29H27NO6.
What is the molecular weight of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The molecular weight of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 485.18 g/mol.
Where can I buy (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
You can request a quote for (S)-3,4,7-trimethyl-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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3,4,7-trimethyl-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.