3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate
TL;DR: 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate (CAS 578001-52-2) is a chemical compound with molecular formula C24H24ClNO6 and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Also Known As: 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate, 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)glycinate, (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate, (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
| Molecular Formula | C24H24ClNO6 |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 4.77572 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.1292 |
| Heavy Atoms | 32 |
| Complexity | 1211.1171 |
Chemical Identifiers
| CAS Number | 578001-52-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CNC(=O)OC(C)(C)C)CC3=CC=CC=C3 |
Product Overview
3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate (CAS 578001-52-2), with molecular formula C24H24ClNO6 and molecular weight 457.13 g/mol. IUPAC: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
Chemical Property Profile of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate
Property Insights of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate
The XLogP value of 4.77572 indicates that 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate 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-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate. Following Lipinski's Rule of Five, 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
The CAS number of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is 578001-52-2.
What is the molecular formula of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
The molecular formula of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is C24H24ClNO6.
What is the molecular weight of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
The molecular weight of 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is 457.13 g/mol.
Where can I buy 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
You can request a quote for 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.