6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
TL;DR: 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione (CAS 84657-53-4) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
Also Known As: 6-methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione, 6-Methoxy-3-[(propan-2-ylidene)amino]-2H-1,3-benzoxazine-2,4(3H)-dione
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 84657-53-4 |
|---|---|
| SMILES | CC(=NN1C(=O)C2=C(C=CC(=C2)OC)OC1=O)C |
| InChIKey | NQAOWXWZXQIXNC-UHFFFAOYSA-N |
Product Overview
6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione (CAS 84657-53-4), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 6-methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione.
Chemical Property Profile of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
Property Insights of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione. Following Lipinski's Rule of Five, 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione has 0 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-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
The CAS number of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione is 84657-53-4.
What is the molecular formula of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
The molecular formula of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione is C12H12N2O4.
What is the molecular weight of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
The molecular weight of 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione is 248.08 g/mol.
Where can I buy 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
You can request a quote for 6-Methoxy-3-(propan-2-ylideneamino)-1,3-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 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.