3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate
TL;DR: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate (CAS 858752-88-2) is a chemical compound with molecular formula C29H35NO6 and molecular weight 493.25 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) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Also Known As: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-[(tert-butoxycarbonyl)amino]hexanoate, (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate, (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
| Molecular Formula | C29H35NO6 |
|---|---|
| Molecular Weight | 493.25 g/mol |
| LogP | 5.99114 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.24643 |
| Heavy Atoms | 36 |
| Complexity | 1270.8945 |
Chemical Identifiers
| CAS Number | 858752-88-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)CCCCCNC(=O)OC(C)(C)C |
Product Overview
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate (CAS 858752-88-2), with molecular formula C29H35NO6 and molecular weight 493.25 g/mol. IUPAC: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.
Chemical Property Profile of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate
Property Insights of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate
The XLogP value of 5.99114 indicates that 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate 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 6-((tert-butoxycarbonyl)amino)hexanoate. Following Lipinski's Rule of Five, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate 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 6-((tert-butoxycarbonyl)amino)hexanoate?
The CAS number of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate is 858752-88-2.
What is the molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate?
The molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate is C29H35NO6.
What is the molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate?
The molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate is 493.25 g/mol.
Where can I buy 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate?
You can request a quote for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate 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 6-((tert-butoxycarbonyl)amino)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-((tert-butoxycarbonyl)amino)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.