![9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid structure](/static/products/1024/1024341-67-0.webp)
9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
TL;DR: 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid (CAS 1024341-67-0) is a chemical compound with molecular formula C25H28N2O3 and molecular weight 404.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
Also Known As: 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid, 2,3,4,5,10,11-Hexahydro-3,3-dimethyl-11-[4-(1-methylethyl)phenyl]-1-oxo-1H-dibenzo[b,e][1,4]diazepine-7-carboxylic acid, 6-(4-isopropylphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
| Molecular Formula | C25H28N2O3 |
|---|---|
| Molecular Weight | 404.21 g/mol |
| LogP | 5.7301 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.21 |
| Heavy Atoms | 30 |
| Complexity | 1048.5635 |
Chemical Identifiers
| CAS Number | 1024341-67-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C(N2)C=CC(=C4)C(=O)O |
Product Overview
9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid (CAS 1024341-67-0), with molecular formula C25H28N2O3 and molecular weight 404.21 g/mol. IUPAC: 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid.
Chemical Property Profile of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
Property Insights of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
The XLogP value of 5.7301 indicates that 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid. Following Lipinski's Rule of Five, 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
The CAS number of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is 1024341-67-0.
What is the molecular formula of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
The molecular formula of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is C25H28N2O3.
What is the molecular weight of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
The molecular weight of 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is 404.21 g/mol.
Where can I buy 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
You can request a quote for 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,9-dimethyl-7-oxo-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.