Butanoic acid, 1H-indol-3-yl ester
TL;DR: Butanoic acid, 1H-indol-3-yl ester (CAS 4346-15-0) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl butanoate
Also Known As: Indoxyl butyrate, 1H-Indol-3-yl butyrate, 3-Butyryloxyindole, 1H-indol-3-yl butanoate, 3-Indoxyl butyrate
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 4346-15-0 |
|---|---|
| SMILES | CCCC(=O)OC1=CNC2=CC=CC=C21 |
| InChIKey | DPUSLOQBAPOARC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 1H-indol-3-yl ester (CAS 4346-15-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1H-indol-3-yl butanoate.
Chemical Property Profile of Butanoic acid, 1H-indol-3-yl ester
Property Insights of Butanoic acid, 1H-indol-3-yl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 1H-indol-3-yl ester. With a topological polar surface area (TPSA) of 42.1 Ų, Butanoic acid, 1H-indol-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 1H-indol-3-yl ester has 1 hydrogen bond donor(s) and 2 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 Butanoic acid, 1H-indol-3-yl ester?
The CAS number of Butanoic acid, 1H-indol-3-yl ester is 4346-15-0.
What is the molecular formula of Butanoic acid, 1H-indol-3-yl ester?
The molecular formula of Butanoic acid, 1H-indol-3-yl ester is C12H13NO2.
What is the molecular weight of Butanoic acid, 1H-indol-3-yl ester?
The molecular weight of Butanoic acid, 1H-indol-3-yl ester is 203.09 g/mol.
Where can I buy Butanoic acid, 1H-indol-3-yl ester?
You can request a quote for Butanoic acid, 1H-indol-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 1H-indol-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 1H-indol-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.