6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
TL;DR: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 1396979-97-7) is a chemical compound with molecular formula C20H24ClNO6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, (6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, 6-CHLORO-4-METHYL-2-OXO-2H-CHROMEN-7-YL 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOATE
| Molecular Formula | C20H24ClNO6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.20952 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.1292 |
| Heavy Atoms | 28 |
| Complexity | 957.54785 |
Chemical Identifiers
| CAS Number | 1396979-97-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)C)NC(=O)OC(C)(C)C |
Product Overview
6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 1396979-97-7), with molecular formula C20H24ClNO6 and molecular weight 409.13 g/mol. IUPAC: (6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
Property Insights of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
The XLogP value of 4.20952 indicates that 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The CAS number of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 1396979-97-7.
What is the molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is C20H24ClNO6.
What is the molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 409.13 g/mol.
Where can I buy 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
You can request a quote for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.