6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide
TL;DR: 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide (CAS 900286-53-5) is a chemical compound with molecular formula C14H11ClN2O4 and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide, 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
| Molecular Formula | C14H11ClN2O4 |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 2.35662 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.04074 |
| Heavy Atoms | 21 |
| Complexity | 725.5141 |
Chemical Identifiers
| CAS Number | 900286-53-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2CC3=C(C=CC(=C3)Cl)C(=O)O2 |
Product Overview
6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide (CAS 900286-53-5), with molecular formula C14H11ClN2O4 and molecular weight 306.04 g/mol. IUPAC: 6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide
Property Insights of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide
The XLogP value of 2.35662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-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 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide. Following Lipinski's Rule of Five, 6-chloro-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 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
The CAS number of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide is 900286-53-5.
What is the molecular formula of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
The molecular formula of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide is C14H11ClN2O4.
What is the molecular weight of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
The molecular weight of 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide is 306.04 g/mol.
Where can I buy 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
You can request a quote for 6-chloro-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 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(5-methylisoxazol-3-yl)-1-oxoisochroman-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.