![2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid structure](/static/products/1023/1023491-93-1.webp)
2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid
TL;DR: 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid (CAS 1023491-93-1) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
Also Known As: 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid, 9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid, 14,14-dimethyl-12-oxo-10-(thiophen-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid, 9,9-dimethyl-7-oxo-6-(2-thienyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.6682 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 928.53784 |
Chemical Identifiers
| CAS Number | 1023491-93-1 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CC=CS4)C(=O)C1)C |
Product Overview
2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid (CAS 1023491-93-1), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: 9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid.
Chemical Property Profile of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid
Property Insights of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid
The XLogP value of 4.6682 indicates that 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-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 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid. Following Lipinski's Rule of Five, 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid has 3 hydrogen bond donor(s) and 5 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 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid?
The CAS number of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid is 1023491-93-1.
What is the molecular formula of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid?
The molecular formula of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid is C20H20N2O3S.
What is the molecular weight of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid?
The molecular weight of 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid is 368.12 g/mol.
Where can I buy 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid?
You can request a quote for 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,9-diaza-14,14-dimethyl-12-oxo-10-(2-thienyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.