7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide
TL;DR: 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide (CAS 853890-28-5) is a chemical compound with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide, AB00686503-01, 7-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide, F1787-0244, 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochromane-3-carboxamide
| Molecular Formula | C15H14N2O4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.01164 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.09537 |
| Heavy Atoms | 21 |
| Complexity | 720.21375 |
Chemical Identifiers
| CAS Number | 853890-28-5 |
|---|---|
| SMILES | CC1=CC2=C(CC(OC2=O)C(=O)NC3=NOC(=C3)C)C=C1 |
Product Overview
7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide (CAS 853890-28-5), with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol. IUPAC: 7-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide
Property Insights of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide
The XLogP value of 2.01164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide. Following Lipinski's Rule of Five, 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
The CAS number of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide is 853890-28-5.
What is the molecular formula of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
The molecular formula of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide is C15H14N2O4.
What is the molecular weight of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
The molecular weight of 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide is 286.10 g/mol.
Where can I buy 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
You can request a quote for 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.