![Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate structure](/static/products/7774/77740-26-2.webp)
Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate
TL;DR: Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate (CAS 77740-26-2) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate
Also Known As: Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate, Diethyl 1b-acetyl-1,1a,1b,2-tetrahydro-2aH-azirino[1',2':3,4]cyclopropa[5,6]pyrimido[1,2-a]indole-2a,8-dicarboxylate
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 77740-26-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2N3CC3C4(CC4(N2C5=CC=CC=C51)C(=O)OCC)C(=O)C |
| InChIKey | UPHWSAGVHZQBMI-UHFFFAOYSA-N |
Product Overview
Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate (CAS 77740-26-2), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate.
Chemical Property Profile of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate
Property Insights of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate has 0 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 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate?
The CAS number of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate is 77740-26-2.
What is the molecular formula of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate?
The molecular formula of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate is C21H22N2O5.
What is the molecular weight of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate?
The molecular weight of Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate is 382.15 g/mol.
Where can I buy Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate?
You can request a quote for Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 13-acetyl-1,10-diazapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-2,4,6,8-tetraene-8,15-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.