N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide
TL;DR: N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide (CAS 838896-06-3) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
Also Known As: N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide, N-(5-methyl-1,2-oxazol-3-yl)isochroman-1-carboxamide, N-(5-methyl-3-isoxazolyl)-3,4-dihydro-1H-isochromene-1-carboxamide, N-(5-METHYL-1,2-OXAZOL-3-YL)-3,4-DIHYDRO-1H-2-BENZOPYRAN-1-CARBOXAMIDE, N-(5-methyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 2.23552 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 606.24347 |
Chemical Identifiers
| CAS Number | 838896-06-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2C3=CC=CC=C3CCO2 |
Product Overview
N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide (CAS 838896-06-3), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.
Chemical Property Profile of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide
Property Insights of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide
The XLogP value of 2.23552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide. Following Lipinski's Rule of Five, N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide has 1 hydrogen bond donor(s) and 4 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 N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide?
The CAS number of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide is 838896-06-3.
What is the molecular formula of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide?
The molecular formula of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide is C14H14N2O3.
What is the molecular weight of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide?
The molecular weight of N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide is 258.10 g/mol.
Where can I buy N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide?
You can request a quote for N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Methylisoxazol-3-yl)isochroman-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.