Methyl 3-acetyl-1-indolizinecarboxylate
TL;DR: Methyl 3-acetyl-1-indolizinecarboxylate (CAS 61860-47-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetylindolizine-1-carboxylate
Also Known As: methyl 3-acetyl-1-indolizinecarboxylate, methyl 3-acetylindolizine-1-carboxylate, 1-Indolizinecarboxylic acid, 3-acetyl-, methyl ester
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.9285 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 568.6476 |
Chemical Identifiers
| CAS Number | 61860-47-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C2N1C=CC=C2)C(=O)OC |
Product Overview
Methyl 3-acetyl-1-indolizinecarboxylate (CAS 61860-47-7), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 3-acetylindolizine-1-carboxylate.
Chemical Property Profile of Methyl 3-acetyl-1-indolizinecarboxylate
Property Insights of Methyl 3-acetyl-1-indolizinecarboxylate
The XLogP value of 1.9285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetyl-1-indolizinecarboxylate. With a topological polar surface area (TPSA) of 47.78 Ų, Methyl 3-acetyl-1-indolizinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-acetyl-1-indolizinecarboxylate 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 Methyl 3-acetyl-1-indolizinecarboxylate?
The CAS number of Methyl 3-acetyl-1-indolizinecarboxylate is 61860-47-7.
What is the molecular formula of Methyl 3-acetyl-1-indolizinecarboxylate?
The molecular formula of Methyl 3-acetyl-1-indolizinecarboxylate is C12H11NO3.
What is the molecular weight of Methyl 3-acetyl-1-indolizinecarboxylate?
The molecular weight of Methyl 3-acetyl-1-indolizinecarboxylate is 217.07 g/mol.
Where can I buy Methyl 3-acetyl-1-indolizinecarboxylate?
You can request a quote for Methyl 3-acetyl-1-indolizinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetyl-1-indolizinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetyl-1-indolizinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.