7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
TL;DR: 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-34-9) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylic acid
Also Known As: 7COOH-6,9-diMe-PBOA-5one, 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylic acid, 7-Carboxy-6,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 7-carboxy-6,9-dimethylpyrido<2,3-b><1,5>benzoxazepin-5(6H)-one
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 140413-34-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=O)O |
| InChIKey | PCICRFXDXSEVNI-UHFFFAOYSA-N |
Product Overview
7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-34-9), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylic acid.
Chemical Property Profile of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Property Insights of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one 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
Frequently Asked Questions
What is the CAS number of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The CAS number of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-34-9.
What is the molecular formula of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular formula of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C15H12N2O4.
What is the molecular weight of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular weight of 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 284.08 g/mol.
Where can I buy 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
You can request a quote for 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Carboxy-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.