methyl (3-propanoyl-1H-indol-1-yl)acetate
TL;DR: methyl (3-propanoyl-1H-indol-1-yl)acetate (CAS 797775-00-9) 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.
methyl 2-(3-propanoylindol-1-yl)acetate
Also Known As: methyl (3-propanoyl-1H-indol-1-yl)acetate, methyl 2-(3-propanoylindol-1-yl)acetate, BAS 08197517, methyl 2-(3-propanoylindolyl)acetate, methyl 2-(3-propanoyl-1H-indol-1-yl)acetate
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.407 |
| 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 | 598.105 |
Chemical Identifiers
| CAS Number | 797775-00-9 |
|---|---|
| SMILES | CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)OC |
Product Overview
methyl (3-propanoyl-1H-indol-1-yl)acetate (CAS 797775-00-9), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: methyl 2-(3-propanoylindol-1-yl)acetate.
Chemical Property Profile of methyl (3-propanoyl-1H-indol-1-yl)acetate
Property Insights of methyl (3-propanoyl-1H-indol-1-yl)acetate
The XLogP value of 2.407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3-propanoyl-1H-indol-1-yl)acetate. With a topological polar surface area (TPSA) of 48.3 Ų, methyl (3-propanoyl-1H-indol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3-propanoyl-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-propanoyl-1H-indol-1-yl)acetate?
The CAS number of methyl (3-propanoyl-1H-indol-1-yl)acetate is 797775-00-9.
What is the molecular formula of methyl (3-propanoyl-1H-indol-1-yl)acetate?
The molecular formula of methyl (3-propanoyl-1H-indol-1-yl)acetate is C14H15NO3.
What is the molecular weight of methyl (3-propanoyl-1H-indol-1-yl)acetate?
The molecular weight of methyl (3-propanoyl-1H-indol-1-yl)acetate is 245.11 g/mol.
Where can I buy methyl (3-propanoyl-1H-indol-1-yl)acetate?
You can request a quote for methyl (3-propanoyl-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-propanoyl-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3-propanoyl-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.