5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid
TL;DR: 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid (CAS 131967-20-9) is a chemical compound with molecular formula C22H21N3O4 and molecular weight 391.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(4-methoxybenzoyl)-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid
Also Known As: 5-Mpba, NCI60_014998, 2-[5-(4-methoxybenzoyl)-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid, 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid, 5H-Pyrrolo[1,2-b][1,2,5]benzotriazepine-11-aceticacid, 10,11-dihydro-10-(4-methoxybenzoyl)-5-methyl-
Technical Specifications
| Molecular Formula | C22H21N3O4 |
| Molecular Weight | 391.1532 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1532 Da |
| Heavy Atoms | 29 |
| Complexity | 607.0 |
| SMILES | CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)OC |
| InChIKey | VEGYGKDKQZDMTG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid
Property Insights of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid. Following Lipinski's Rule of Five, 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid 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 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid?
The CAS number of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid is 131967-20-9.
What is the molecular formula of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid?
The molecular formula of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid is C22H21N3O4.
What is the molecular weight of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid?
The molecular weight of 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid is 391.1532 g/mol.
Where can I buy 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid?
You can request a quote for 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-10,11-dihydro-5H-pyrrolo(1,2-b)(1,2,5)benzotriazepine-11-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.