8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
TL;DR: 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (CAS 34954-65-9) 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.
8-methyl-1H-3,1-benzoxazine-2,4-dione
Also Known As: 3-methylisatoic anhydride, 8-methyl-1h-benzo[d][1,3]oxazine-2,4-dione, 3-Methyl-isatoic anhydride, 3-Methylisatoicanhydride, 3-Methyl-isatoicanhydride
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.78972 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 564.8169 |
Chemical Identifiers
| CAS Number | 34954-65-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)OC(=O)N2 |
Product Overview
8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (CAS 34954-65-9), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 8-methyl-1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
Property Insights of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
The XLogP value of 0.78972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione. Following Lipinski's Rule of Five, 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione 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 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione?
The CAS number of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione is 34954-65-9.
What is the molecular formula of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione?
The molecular formula of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione is C9H7NO3.
What is the molecular weight of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione?
The molecular weight of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione is 177.04 g/mol.
Where can I buy 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione?
You can request a quote for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.