(3-Cyano-2-methyl-indol-1-yl)-acetic acid
TL;DR: (3-Cyano-2-methyl-indol-1-yl)-acetic acid (CAS 531544-17-9) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyano-2-methylindol-1-yl)acetic acid
Also Known As: (3-Cyano-2-methyl-indol-1-yl)-acetic acid, -ACETICACID, 2-(3-Cyano-2-methyl-1H-indol-1-yl)acetic acid, (3-cyano-2-methyl-1h-indol-1-yl)acetic acid, TimTec1_008163
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 531544-17-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC(=O)O)C#N |
| InChIKey | JKRYSSLJLLGUDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Cyano-2-methyl-indol-1-yl)-acetic acid (CAS 531544-17-9), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 2-(3-cyano-2-methylindol-1-yl)acetic acid.
Chemical Property Profile of (3-Cyano-2-methyl-indol-1-yl)-acetic acid
Property Insights of (3-Cyano-2-methyl-indol-1-yl)-acetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Cyano-2-methyl-indol-1-yl)-acetic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Cyano-2-methyl-indol-1-yl)-acetic acid. Following Lipinski's Rule of Five, (3-Cyano-2-methyl-indol-1-yl)-acetic acid 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 (3-Cyano-2-methyl-indol-1-yl)-acetic acid?
The CAS number of (3-Cyano-2-methyl-indol-1-yl)-acetic acid is 531544-17-9.
What is the molecular formula of (3-Cyano-2-methyl-indol-1-yl)-acetic acid?
The molecular formula of (3-Cyano-2-methyl-indol-1-yl)-acetic acid is C12H10N2O2.
What is the molecular weight of (3-Cyano-2-methyl-indol-1-yl)-acetic acid?
The molecular weight of (3-Cyano-2-methyl-indol-1-yl)-acetic acid is 214.07 g/mol.
Where can I buy (3-Cyano-2-methyl-indol-1-yl)-acetic acid?
You can request a quote for (3-Cyano-2-methyl-indol-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Cyano-2-methyl-indol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Cyano-2-methyl-indol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.