![Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate structure](/static/products/852/852137-11-2.png)
Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate
TL;DR: Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate (CAS 852137-11-2) is a chemical compound with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate
Also Known As: ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate, ethyl 3-{[(1,2-dimethyl-1H-indol-5-yl)methyl]carbamoyl}propanoate, ethyl 4-{[(1,2-dimethyl-1H-indol-5-yl)methyl]amino}-4-oxobutanoate, ethyl 3-{[(1-methyl-2-methyl-5-indolyl)methyl]carbamoyl}propionate, 4-[(1,2-dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid ethyl ester
| Molecular Formula | C17H22N2O3 |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 2.44622 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.16306 |
| Heavy Atoms | 22 |
| Complexity | 688.51404 |
Chemical Identifiers
| CAS Number | 852137-11-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NCC1=CC2=C(C=C1)N(C(=C2)C)C |
Product Overview
Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate (CAS 852137-11-2), with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol. IUPAC: ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate
Property Insights of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate
The XLogP value of 2.44622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate 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 Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate?
The CAS number of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate is 852137-11-2.
What is the molecular formula of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate?
The molecular formula of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate is C17H22N2O3.
What is the molecular weight of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate?
The molecular weight of Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate is 302.16 g/mol.
Where can I buy Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate?
You can request a quote for Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(1,2-dimethylindol-5-yl)methylamino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.