![diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate structure](/static/products/6670/66709-38-4.webp)
diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate
TL;DR: diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate (CAS 66709-38-4) is a chemical compound with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate
Also Known As: diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate, diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]be, Diethyl 10-oxo-2,3,3a,4,9,10-hexahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-1,1-dicarboxylate
| Molecular Formula | C18H22N2O5 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.15286 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 66709-38-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCC2N1C(=O)CC3=CC=CC=C3N2)C(=O)OCC |
| InChIKey | VRIDHOIVVMTSSM-UHFFFAOYSA-N |
Product Overview
diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate (CAS 66709-38-4), with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol. IUPAC: diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate.
Chemical Property Profile of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate
Property Insights of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate has 1 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 diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate?
The CAS number of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate is 66709-38-4.
What is the molecular formula of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate?
The molecular formula of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate is C18H22N2O5.
What is the molecular weight of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate?
The molecular weight of diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate is 346.15 g/mol.
Where can I buy diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate?
You can request a quote for diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-oxo-2,6,11,11a-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzodiazepine-3,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.