3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester
TL;DR: 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester (CAS 128352-98-7) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-cyanoindolizine-3-carboxylate
Also Known As: ethyl 1-cyanoindolizine-3-carboxylate, 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester, ethyl 1-cyano-3-indolizinecarboxylate, 1-Cyanoindolizine-3-carboxylic acid ethyl ester, 3-Indolizinecarboxylic acid,1-cyano-,ethyl ester
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.98768 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 578.20654 |
Chemical Identifiers
| CAS Number | 128352-98-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C2N1C=CC=C2)C#N |
Product Overview
3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester (CAS 128352-98-7), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: ethyl 1-cyanoindolizine-3-carboxylate.
Chemical Property Profile of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester
Property Insights of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester
The XLogP value of 1.98768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester. With a topological polar surface area (TPSA) of 54.5 Ų, 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester?
The CAS number of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester is 128352-98-7.
What is the molecular formula of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester?
The molecular formula of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester is C12H10N2O2.
What is the molecular weight of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester?
The molecular weight of 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester is 214.07 g/mol.
Where can I buy 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester?
You can request a quote for 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.