3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
TL;DR: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate (CAS 858751-42-5) is a chemical compound with molecular formula C32H33NO6 and molecular weight 527.23 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-(phenylmethoxycarbonylamino)hexanoate
Also Known As: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate, (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 6-phenylmethoxycarbonylaminohexanoate, (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 6-(phenylmethoxycarbonylamino)hexanoate, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
| Molecular Formula | C32H33NO6 |
|---|---|
| Molecular Weight | 527.23 g/mol |
| LogP | 6.39284 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.2308 |
| Heavy Atoms | 39 |
| Complexity | 1477.814 |
Chemical Identifiers
| CAS Number | 858751-42-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)CCCCCNC(=O)OCC4=CC=CC=C4 |
Product Overview
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate (CAS 858751-42-5), with molecular formula C32H33NO6 and molecular weight 527.23 g/mol. IUPAC: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 6-(phenylmethoxycarbonylamino)hexanoate.
Chemical Property Profile of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
Property Insights of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
The XLogP value of 6.39284 indicates that 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)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-(((benzyloxy)carbonyl)amino)hexanoate. Following Lipinski's Rule of Five, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)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-(((benzyloxy)carbonyl)amino)hexanoate?
The CAS number of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is 858751-42-5.
What is the molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
The molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is C32H33NO6.
What is the molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
The molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is 527.23 g/mol.
Where can I buy 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
You can request a quote for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)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-(((benzyloxy)carbonyl)amino)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.