methyl (2-methyl-1H-indol-3-yl)(oxo)acetate
TL;DR: methyl (2-methyl-1H-indol-3-yl)(oxo)acetate (CAS 62995-59-9) 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-(2-methyl-1H-indol-3-yl)-2-oxoacetate
Also Known As: methyl (2-methyl-1H-indol-3-yl)(oxo)acetate, methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate, METHYL ACETATE, L-Alanine isopropyl ester hydrochloride, methyl2-(2-methyl-1H-indol-3-yl)-2-oxoacetate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.83202 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 568.6476 |
Chemical Identifiers
| CAS Number | 62995-59-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)OC |
Product Overview
methyl (2-methyl-1H-indol-3-yl)(oxo)acetate (CAS 62995-59-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate.
Chemical Property Profile of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate
Property Insights of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate
The XLogP value of 1.83202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2-methyl-1H-indol-3-yl)(oxo)acetate. With a topological polar surface area (TPSA) of 59.16 Ų, methyl (2-methyl-1H-indol-3-yl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2-methyl-1H-indol-3-yl)(oxo)acetate has 1 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-methyl-1H-indol-3-yl)(oxo)acetate?
The CAS number of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate is 62995-59-9.
What is the molecular formula of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate?
The molecular formula of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate is C12H11NO3.
What is the molecular weight of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate?
The molecular weight of methyl (2-methyl-1H-indol-3-yl)(oxo)acetate is 217.07 g/mol.
Where can I buy methyl (2-methyl-1H-indol-3-yl)(oxo)acetate?
You can request a quote for methyl (2-methyl-1H-indol-3-yl)(oxo)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-methyl-1H-indol-3-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2-methyl-1H-indol-3-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.