8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-
TL;DR: 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- (CAS 118560-27-3) is a chemical compound with molecular formula C19H22ClN3O4 and molecular weight 391.12988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-triene-15-carboxylic acid
Also Known As: 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-, 1-Chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-5,7,8,9,10,11,11a,12-octahydro-8,11-epiminoazepino[1,2-b]isoquinoline-10-carboxylic acid
Technical Specifications
| Molecular Formula | C19H22ClN3O4 |
| Molecular Weight | 391.12988 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.12988 Da |
| Heavy Atoms | 27 |
| Complexity | 654.0 |
| SMILES | CN1C2CC(C1C3CC4=C(C=CC(=C4C(N3C2C#N)CO)OC)Cl)C(=O)O |
| InChIKey | WBGHLKNRSTYXFC-UHFFFAOYSA-N |
Chemical Property Profile of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-
Property Insights of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-
The XLogP value of -1.0 indicates that 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-. Following Lipinski's Rule of Five, 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-?
The CAS number of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- is 118560-27-3.
What is the molecular formula of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-?
The molecular formula of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- is C19H22ClN3O4.
What is the molecular weight of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-?
The molecular weight of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- is 391.12988 g/mol.
Where can I buy 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-?
You can request a quote for 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-?
Yes, CoreyChem provides custom synthesis services for 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1-chloro-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.