Dimethyl 7-cyanoindolizine-1,2-dicarboxylate
TL;DR: Dimethyl 7-cyanoindolizine-1,2-dicarboxylate (CAS 58747-63-0) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 7-cyanoindolizine-1,2-dicarboxylate
Also Known As: dimethyl 7-cyanoindolizine-1,2-dicarboxylate, 1,2-DIMETHYL 7-CYANOINDOLIZINE-1,2-DICARBOXYLATE
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 58747-63-0 |
|---|---|
| SMILES | COC(=O)C1=CN2C=CC(=CC2=C1C(=O)OC)C#N |
| InChIKey | YNTUYRCKHNFTCB-UHFFFAOYSA-N |
Product Overview
Dimethyl 7-cyanoindolizine-1,2-dicarboxylate (CAS 58747-63-0), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: dimethyl 7-cyanoindolizine-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate
Property Insights of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 7-cyanoindolizine-1,2-dicarboxylate. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 7-cyanoindolizine-1,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 7-cyanoindolizine-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 7-cyanoindolizine-1,2-dicarboxylate?
The CAS number of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate is 58747-63-0.
What is the molecular formula of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate?
The molecular formula of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate is C13H10N2O4.
What is the molecular weight of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate?
The molecular weight of Dimethyl 7-cyanoindolizine-1,2-dicarboxylate is 258.06 g/mol.
Where can I buy Dimethyl 7-cyanoindolizine-1,2-dicarboxylate?
You can request a quote for Dimethyl 7-cyanoindolizine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 7-cyanoindolizine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 7-cyanoindolizine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.