ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate
TL;DR: ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate (CAS 433307-59-6) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-formyl-2-methylindol-1-yl)acetate
Also Known As: ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate, ETHYL ACETATE, ethyl 2-(3-formyl-2-methylindol-1-yl)acetate, Ethyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate, 3327AE
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.32532 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 598.35004 |
Chemical Identifiers
| CAS Number | 433307-59-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=O)C |
Product Overview
ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate (CAS 433307-59-6), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl 2-(3-formyl-2-methylindol-1-yl)acetate.
Chemical Property Profile of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate
Property Insights of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate
The XLogP value of 2.32532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl (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, ethyl (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 ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
The CAS number of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate is 433307-59-6.
What is the molecular formula of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
The molecular formula of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate is C14H15NO3.
What is the molecular weight of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
The molecular weight of ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate is 245.11 g/mol.
Where can I buy ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
You can request a quote for ethyl (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 ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3-formyl-2-methyl-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.