5-Methylisatoic anhydride
TL;DR: 5-Methylisatoic anhydride (CAS 47739-68-4) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1H-3,1-benzoxazine-2,4-dione
Also Known As: 5-Methylisatoic anhydride, 6-Methyl isatinic anhydride, 6-methyl-1h-benzo[d][1,3]oxazine-2,4-dione, 6-Methylisatoic anhydride, 6-methyl-1H-3,1-benzoxazine-2,4-dione
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 47739-68-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)OC2=O |
| InChIKey | IIXZSGIPOINDJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylisatoic anhydride (CAS 47739-68-4), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 6-methyl-1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 5-Methylisatoic anhydride
Property Insights of 5-Methylisatoic anhydride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylisatoic anhydride. With a topological polar surface area (TPSA) of 55.4 Ų, 5-Methylisatoic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylisatoic anhydride has 1 hydrogen bond donor(s) and 3 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 5-Methylisatoic anhydride?
The CAS number of 5-Methylisatoic anhydride is 47739-68-4.
What is the molecular formula of 5-Methylisatoic anhydride?
The molecular formula of 5-Methylisatoic anhydride is C9H7NO3.
What is the molecular weight of 5-Methylisatoic anhydride?
The molecular weight of 5-Methylisatoic anhydride is 177.04 g/mol.
Where can I buy 5-Methylisatoic anhydride?
You can request a quote for 5-Methylisatoic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylisatoic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylisatoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.