4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-
TL;DR: 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- (CAS 20006-47-7) is a chemical compound with molecular formula C19H14N2O4 and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-[(2-methyl-4-oxo-3,1-benzoxazin-6-yl)methyl]-3,1-benzoxazin-4-one
Also Known As: ChemDiv2_003549, 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-, IDI1_002264, BAS 00431323, J1.322.972D
| Molecular Formula | C19H14N2O4 |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.09537 |
| Heavy Atoms | 25 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 20006-47-7 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)CC3=CC4=C(C=C3)N=C(OC4=O)C)C(=O)O1 |
| InChIKey | FWACJXSHEZUCSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- (CAS 20006-47-7), with molecular formula C19H14N2O4 and molecular weight 334.10 g/mol. IUPAC: 2-methyl-6-[(2-methyl-4-oxo-3,1-benzoxazin-6-yl)methyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-
Property Insights of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- has 0 hydrogen bond donor(s) and 6 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 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-?
The CAS number of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- is 20006-47-7.
What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-?
The molecular formula of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- is C19H14N2O4.
What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-?
The molecular weight of 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- is 334.10 g/mol.
Where can I buy 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-?
You can request a quote for 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 6,6'-methylenebis[2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.