![3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid structure](/static/products/892/892283-95-3.png)
3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
TL;DR: 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid (CAS 892283-95-3) 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.
3-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid
Also Known As: ChemDiv2_005820, IDI1_004535, 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid, 3-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.9332 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 628.65283 |
Chemical Identifiers
| CAS Number | 892283-95-3 |
|---|---|
| SMILES | CC(C)NC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O |
Product Overview
3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid (CAS 892283-95-3), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 3-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
Property Insights of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
The XLogP value of 1.9332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid has 3 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 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid?
The CAS number of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid is 892283-95-3.
What is the molecular formula of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid?
The molecular formula of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid is C14H16N2O3.
What is the molecular weight of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid?
The molecular weight of 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid is 260.12 g/mol.
Where can I buy 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid?
You can request a quote for 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(propan-2-yl)carbamoyl]methyl}-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.