![4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid structure](/static/products/1098/109826-59-7.webp)
4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid
TL;DR: 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid (CAS 109826-59-7) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid
Also Known As: 4-Methyl-4,6-dihydrobenzo[e]pyrrolo[2,1-c][1,4]oxazepine-4-carboxylic acid, 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid, 4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid, 4-Methyl-4H,6H-pyrrolo[1,2-a][4,1]-benzoxazepine-4-carboxylic acid, 4-Methyl-4H,6H-5-oxa-10b-aza-benzo[e]azulene-4-carboxylic acid
Technical Specifications
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.08954 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.08954 Da |
| Heavy Atoms | 18 |
| Complexity | 346.0 |
| SMILES | CC1(C2=CC=CN2C3=CC=CC=C3CO1)C(=O)O |
| InChIKey | JWGZFUYHMUSJDY-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid
Property Insights of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid. With a topological polar surface area (TPSA) of 51.5 Ų, 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid 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
What is the CAS number of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid?
The CAS number of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid is 109826-59-7.
What is the molecular formula of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid?
The molecular formula of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid is C14H13NO3.
What is the molecular weight of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid?
The molecular weight of 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid is 243.08954 g/mol.
Where can I buy 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid?
You can request a quote for 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.