![ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate structure](/static/products/799/79988-73-1.png)
ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
TL;DR: ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate (CAS 79988-73-1) is a chemical compound with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate, ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,, Ethyl 3-methyl-11-oxo-1-phenyl-2,10,11,11a-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
| Molecular Formula | C23H22N2O3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.16306 |
| Heavy Atoms | 28 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 79988-73-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C2C(=NC3=CC=CC=C3NC2=O)C=C1C)C4=CC=CC=C4 |
| InChIKey | MTKBIORRXISFPY-UHFFFAOYSA-N |
Product Overview
ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate (CAS 79988-73-1), with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol. IUPAC: ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Property Insights of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate. Following Lipinski's Rule of Five, ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate has 1 hydrogen bond donor(s) and 4 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 ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate?
The CAS number of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate is 79988-73-1.
What is the molecular formula of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate?
The molecular formula of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate is C23H22N2O3.
What is the molecular weight of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate?
The molecular weight of ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate is 374.16 g/mol.
Where can I buy ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate?
You can request a quote for ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.