![6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid structure](/static/products/1024/1024289-56-2.webp)
6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
TL;DR: 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid (CAS 1024289-56-2) is a chemical compound with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
Also Known As: 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid, [9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic ac id, 2,9-diaza-10-benzo[d]1,3-dioxolen-5-yl-14,14-dimethyl-12-oxotricyclo, 10-(2H-1,3-benzodioxol-5-yl)-14,14-dimethyl-12-oxo-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid, 2,9-diaza-10-benzo[d]1,3-dioxolen-5-yl-14,14-dimethyl-12-oxotricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid
| Molecular Formula | C23H22N2O5 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.3354 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.15286 |
| Heavy Atoms | 30 |
| Complexity | 1118.5717 |
Chemical Identifiers
| CAS Number | 1024289-56-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CC5=C(C=C4)OCO5)C(=O)C1)C |
Product Overview
6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid (CAS 1024289-56-2), with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid.
Chemical Property Profile of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
Property Insights of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
The XLogP value of 4.3354 indicates that 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-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 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid. Following Lipinski's Rule of Five, 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid has 3 hydrogen bond donor(s) and 6 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 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
The CAS number of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is 1024289-56-2.
What is the molecular formula of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
The molecular formula of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is C23H22N2O5.
What is the molecular weight of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
The molecular weight of 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid is 406.15 g/mol.
Where can I buy 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
You can request a quote for 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-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 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-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.