tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate
TL;DR: tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate (CAS 1444-11-7) is a chemical compound with molecular formula C17H19NO8 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate
Also Known As: tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate, J1.086.179I, tetramethyl 1-methyl-1,7a-dihydro-3aH-indole-2,3,3a,4-tetracarboxylate, 2,3,3a,4-tetramethyl 1-methyl-3a,7a-dihydro-1H-indole-2,3,3a,4-tetracarboxylate, Tetramethyl 1-methyl-3a,7a-dihydro-1H-indole-2,3,3a,4-tetracarboxylate
| Molecular Formula | C17H19NO8 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.11105 |
| Heavy Atoms | 26 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 1444-11-7 |
|---|---|
| SMILES | CN1C2C=CC=C(C2(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | FKZDDNVZIBPDOP-UHFFFAOYSA-N |
Product Overview
tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate (CAS 1444-11-7), with molecular formula C17H19NO8 and molecular weight 365.11 g/mol. IUPAC: tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate.
Chemical Property Profile of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate
Property Insights of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate. Following Lipinski's Rule of Five, tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate has 0 hydrogen bond donor(s) and 9 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 tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate?
The CAS number of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate is 1444-11-7.
What is the molecular formula of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate?
The molecular formula of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate is C17H19NO8.
What is the molecular weight of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate?
The molecular weight of tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate is 365.11 g/mol.
Where can I buy tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate?
You can request a quote for tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate?
Yes, KEHONG BIO provides custom synthesis services for tetramethyl 1-methyl-7aH-indole-2,3,3a,4-tetracarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.