2-(1H-indol-3-yl)butanedioic acid
TL;DR: 2-(1H-indol-3-yl)butanedioic acid (CAS 10184-94-8) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)butanedioic acid
Also Known As: 3-indolylsuccinic acid, 2-(1H-indol-3-yl)butanedioic acid, 3-indolesuccinic acid, 2-(1h-Indol-3-yl)succinic acid, ChemDiv2_000930
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 10184-94-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(CC(=O)O)C(=O)O |
| InChIKey | HVTXQEBIPXLXDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-indol-3-yl)butanedioic acid (CAS 10184-94-8), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 2-(1H-indol-3-yl)butanedioic acid.
Chemical Property Profile of 2-(1H-indol-3-yl)butanedioic acid
Property Insights of 2-(1H-indol-3-yl)butanedioic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-indol-3-yl)butanedioic acid. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-indol-3-yl)butanedioic acid. Following Lipinski's Rule of Five, 2-(1H-indol-3-yl)butanedioic acid has 3 hydrogen bond donor(s) and 4 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 2-(1H-indol-3-yl)butanedioic acid?
The CAS number of 2-(1H-indol-3-yl)butanedioic acid is 10184-94-8.
What is the molecular formula of 2-(1H-indol-3-yl)butanedioic acid?
The molecular formula of 2-(1H-indol-3-yl)butanedioic acid is C12H11NO4.
What is the molecular weight of 2-(1H-indol-3-yl)butanedioic acid?
The molecular weight of 2-(1H-indol-3-yl)butanedioic acid is 233.07 g/mol.
Where can I buy 2-(1H-indol-3-yl)butanedioic acid?
You can request a quote for 2-(1H-indol-3-yl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-indol-3-yl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-indol-3-yl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.