methyl 4-(1H-indole-6-carbonylamino)butanoate
TL;DR: methyl 4-(1H-indole-6-carbonylamino)butanoate (CAS 394653-95-3) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1H-indole-6-carbonylamino)butanoate
Also Known As: Peakdale1_000385, methyl 4-(1H-indole-6-carbonylamino)butanoate, butanoic acid,4-[(1h-indol-6-ylcarbonyl)amino]-,methyl ester, methyl 4-[(1H-indol-6-ylcarbonyl)amino]butanoate, Methyl 4-[(1H-indole-6-carbonyl)amino]butanoate
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.8509 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 589.14355 |
Chemical Identifiers
| CAS Number | 394653-95-3 |
|---|---|
| SMILES | COC(=O)CCCNC(=O)C1=CC2=C(C=C1)C=CN2 |
Product Overview
methyl 4-(1H-indole-6-carbonylamino)butanoate (CAS 394653-95-3), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: methyl 4-(1H-indole-6-carbonylamino)butanoate.
Chemical Property Profile of methyl 4-(1H-indole-6-carbonylamino)butanoate
Property Insights of methyl 4-(1H-indole-6-carbonylamino)butanoate
The XLogP value of 1.8509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1H-indole-6-carbonylamino)butanoate. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1H-indole-6-carbonylamino)butanoate. Following Lipinski's Rule of Five, methyl 4-(1H-indole-6-carbonylamino)butanoate has 2 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 4-(1H-indole-6-carbonylamino)butanoate?
The CAS number of methyl 4-(1H-indole-6-carbonylamino)butanoate is 394653-95-3.
What is the molecular formula of methyl 4-(1H-indole-6-carbonylamino)butanoate?
The molecular formula of methyl 4-(1H-indole-6-carbonylamino)butanoate is C14H16N2O3.
What is the molecular weight of methyl 4-(1H-indole-6-carbonylamino)butanoate?
The molecular weight of methyl 4-(1H-indole-6-carbonylamino)butanoate is 260.12 g/mol.
Where can I buy methyl 4-(1H-indole-6-carbonylamino)butanoate?
You can request a quote for methyl 4-(1H-indole-6-carbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(1H-indole-6-carbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1H-indole-6-carbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.