methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate
TL;DR: methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate (CAS 1002415-23-7) is a chemical compound with molecular formula C20H17N3O6 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[1-(2,4-dimethyl-6-oxopyran-3-carbonyl)pyrazole-3-carbonyl]amino]benzoate
Also Known As: methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate, methyl 3-[[1-(2,4-dimethyl-6-oxopyran-3-carbonyl)pyrazole-3-carbonyl]amino]benzoate, methyl 3-[({1-[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]-1H-pyrazol-3-yl}carbonyl)amino]benzoate
| Molecular Formula | C20H17N3O6 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.18054 |
| Topological Polar Surface Area | 120.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.11172 |
| Heavy Atoms | 29 |
| Complexity | 1148.7048 |
Chemical Identifiers
| CAS Number | 1002415-23-7 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)N2C=CC(=N2)C(=O)NC3=CC=CC(=C3)C(=O)OC)C |
Product Overview
methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate (CAS 1002415-23-7), with molecular formula C20H17N3O6 and molecular weight 395.11 g/mol. IUPAC: methyl 3-[[1-(2,4-dimethyl-6-oxopyran-3-carbonyl)pyrazole-3-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate
Property Insights of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate
The XLogP value of 2.18054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate. The TPSA of 120.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate has 1 hydrogen bond donor(s) and 7 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 methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate?
The CAS number of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate is 1002415-23-7.
What is the molecular formula of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate?
The molecular formula of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate is C20H17N3O6.
What is the molecular weight of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate?
The molecular weight of methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate is 395.11 g/mol.
Where can I buy methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate?
You can request a quote for methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-1H-pyrazole-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.