6,9-diMe-7-MeOCNH-PBOA-5one
TL;DR: 6,9-diMe-7-MeOCNH-PBOA-5one (CAS 140413-33-8) is a chemical compound with molecular formula C16H15N3O3 and molecular weight 297.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboximidate
Also Known As: 6,9-diMe-7-MeOCNH-PBOA-5one, 6,9-Dimethyl-7-methoxy(imino)methyl)-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, methyl 6,9-dimethyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepine-7-carboximidate, methyl 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboximidate, 6,9-Dimethyl-7-methoxy(imino)methyl)-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Technical Specifications
| Molecular Formula | C16H15N3O3 |
| Molecular Weight | 297.11133 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.11133 Da |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=N)OC |
| InChIKey | LEHIHURYTFEZGS-UHFFFAOYSA-N |
Chemical Property Profile of 6,9-diMe-7-MeOCNH-PBOA-5one
Property Insights of 6,9-diMe-7-MeOCNH-PBOA-5one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,9-diMe-7-MeOCNH-PBOA-5one. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,9-diMe-7-MeOCNH-PBOA-5one. Following Lipinski's Rule of Five, 6,9-diMe-7-MeOCNH-PBOA-5one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6,9-diMe-7-MeOCNH-PBOA-5one?
The CAS number of 6,9-diMe-7-MeOCNH-PBOA-5one is 140413-33-8.
What is the molecular formula of 6,9-diMe-7-MeOCNH-PBOA-5one?
The molecular formula of 6,9-diMe-7-MeOCNH-PBOA-5one is C16H15N3O3.
What is the molecular weight of 6,9-diMe-7-MeOCNH-PBOA-5one?
The molecular weight of 6,9-diMe-7-MeOCNH-PBOA-5one is 297.11133 g/mol.
Where can I buy 6,9-diMe-7-MeOCNH-PBOA-5one?
You can request a quote for 6,9-diMe-7-MeOCNH-PBOA-5one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,9-diMe-7-MeOCNH-PBOA-5one?
Yes, CoreyChem provides custom synthesis services for 6,9-diMe-7-MeOCNH-PBOA-5one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.