3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate
TL;DR: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate (CAS 1024020-72-1) is a chemical compound with molecular formula C27H31NO6 and molecular weight 465.22 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) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate, (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
| Molecular Formula | C27H31NO6 |
|---|---|
| Molecular Weight | 465.22 g/mol |
| LogP | 5.20934 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.21515 |
| Heavy Atoms | 34 |
| Complexity | 1254.0809 |
Chemical Identifiers
| CAS Number | 1024020-72-1 |
|---|---|
| SMILES | CCC(C(=O)OC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NC(=O)OC(C)(C)C |
Product Overview
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate (CAS 1024020-72-1), with molecular formula C27H31NO6 and molecular weight 465.22 g/mol. IUPAC: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate
Property Insights of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate
The XLogP value of 5.20934 indicates that 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate 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 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate. Following Lipinski's Rule of Five, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate 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 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate?
The CAS number of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate is 1024020-72-1.
What is the molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate?
The molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate is C27H31NO6.
What is the molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate?
The molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate is 465.22 g/mol.
Where can I buy 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate?
You can request a quote for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.