4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole
TL;DR: 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole (CAS 80728-25-2) is a chemical compound with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
Also Known As: 4-Chloro-3-methyl-5- isoxazole, 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole, 2-((4-Chloro-3-methylisoxazol-5-yl)methyl)isoindoline-1,3-dione, 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione, 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
| Molecular Formula | C13H9ClN2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.03018 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 80728-25-2 |
|---|---|
| SMILES | CC1=NOC(=C1Cl)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | CDOQSUXSFDCCMO-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole (CAS 80728-25-2), with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol. IUPAC: 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione.
Chemical Property Profile of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole
Property Insights of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole. Following Lipinski's Rule of Five, 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole has 0 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 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole?
The CAS number of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole is 80728-25-2.
What is the molecular formula of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole?
The molecular formula of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole is C13H9ClN2O3.
What is the molecular weight of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole?
The molecular weight of 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole is 276.03 g/mol.
Where can I buy 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole?
You can request a quote for 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methyl-5-(phthalimidomethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.