Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate
TL;DR: Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate (CAS 61936-93-4) 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 2-(1-methyl-2-oxoindol-3-ylidene)acetate
Also Known As: METHYL 2-(1-METHYL-2-OXO-INDOL-3-YLIDENE)ACETATE, methyl 2-(1-methyl-2-oxoindol-3-ylidene)acetate, Methyl (1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate, (2-oxo-1,2-dihydro-1-methylindol-3-ylidene)acetic acid methyl ester, RefChem:353765
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 61936-93-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=CC(=O)OC)C1=O |
| InChIKey | OOXDPAUCZFVVES-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate (CAS 61936-93-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 2-(1-methyl-2-oxoindol-3-ylidene)acetate.
Chemical Property Profile of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate
Property Insights of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate 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 2-(1-methyl-2-oxo-indol-3-ylidene)acetate?
The CAS number of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate is 61936-93-4.
What is the molecular formula of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate?
The molecular formula of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate is C12H11NO3.
What is the molecular weight of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate?
The molecular weight of Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate is 217.07 g/mol.
Where can I buy Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate?
You can request a quote for Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-methyl-2-oxo-indol-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.