acetate structure](/static/products/313/313507-04-9.png)
3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate
TL;DR: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate (CAS 313507-04-9) is a chemical compound with molecular formula C23H22ClNO6 and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
Also Known As: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetate, (3-chloro-4-methyl-2-oxo-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-acetate, (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
| Molecular Formula | C23H22ClNO6 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.92622 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.11356 |
| Heavy Atoms | 31 |
| Complexity | 1180.3763 |
Chemical Identifiers
| CAS Number | 313507-04-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C)Cl |
Product Overview
3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate (CAS 313507-04-9), with molecular formula C23H22ClNO6 and molecular weight 443.11 g/mol. IUPAC: (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate.
Chemical Property Profile of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate
Property Insights of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate
The XLogP value of 4.92622 indicates that 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)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-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate. Following Lipinski's Rule of Five, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)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-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate?
The CAS number of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate is 313507-04-9.
What is the molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate?
The molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate is C23H22ClNO6.
What is the molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate?
The molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate is 443.11 g/mol.
Where can I buy 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate?
You can request a quote for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.