methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate
TL;DR: methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate (CAS 431983-71-0) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-formyl-2-methylindol-1-yl)acetate
Also Known As: methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate, methyl 2-(3-formyl-2-methylindol-1-yl)acetate, (3-Formyl-2-methyl-indol-1-yl)-acetic acid methyl ester, CHEMBRDG-BB 6781748, 3305AE
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 431983-71-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC(=O)OC)C=O |
| InChIKey | GLTOPUVGYLBJTJ-UHFFFAOYSA-N |
Product Overview
methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate (CAS 431983-71-0), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: methyl 2-(3-formyl-2-methylindol-1-yl)acetate.
Chemical Property Profile of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate
Property Insights of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate. With a topological polar surface area (TPSA) of 48.3 Ų, methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3-formyl-2-methyl-1H-indol-1-yl)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 (3-formyl-2-methyl-1H-indol-1-yl)acetate?
The CAS number of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate is 431983-71-0.
What is the molecular formula of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
The molecular formula of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate is C13H13NO3.
What is the molecular weight of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
The molecular weight of methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate is 231.09 g/mol.
Where can I buy methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
You can request a quote for methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3-formyl-2-methyl-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.