Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate
TL;DR: Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate (CAS 77557-55-2) is a chemical compound with molecular formula C18H24N2O7 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-b]azepine-3,5,8-tricarboxylate
Also Known As: Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate, triethyl 1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-b]azepine, triethyl 1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-b]azepine-3,5,8-tricarboxylate, Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo[2,3-b]azepine-3,5,8(1H)-tricarboxylate, 3,5,8-Triethyl 4,5,6,7-tetrahydro-1-methyl-4-oxopyrrolo[2,3-b]azepine-3,5,8(1H)-tricarboxylate
| Molecular Formula | C18H24N2O7 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.15836 |
| Heavy Atoms | 27 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 77557-55-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN(C2=C(C1=O)C(=CN2C)C(=O)OCC)C(=O)OCC |
| InChIKey | XGLGRPXTVFKPSY-UHFFFAOYSA-N |
Product Overview
Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate (CAS 77557-55-2), with molecular formula C18H24N2O7 and molecular weight 380.16 g/mol. IUPAC: triethyl 1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[2,3-b]azepine-3,5,8-tricarboxylate.
Chemical Property Profile of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate
Property Insights of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate has 0 hydrogen bond donor(s) and 7 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 Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate?
The CAS number of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate is 77557-55-2.
What is the molecular formula of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate?
The molecular formula of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate is C18H24N2O7.
What is the molecular weight of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate?
The molecular weight of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate is 380.16 g/mol.
Where can I buy Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate?
You can request a quote for Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.