(3-Isobutyryl-indol-1-yl)-acetic acid
TL;DR: (3-Isobutyryl-indol-1-yl)-acetic acid (CAS 797775-86-1) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid
Also Known As: (3-Isobutyryl-indol-1-yl)-acetic acid, 2-(3-Isobutyryl-1H-indol-1-yl)acetic acid, BAS 08197653, 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid, [3-(2-methylpropanoyl)indol-1-yl]acetic acid
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.5646 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 610.5267 |
Chemical Identifiers
| CAS Number | 797775-86-1 |
|---|---|
| SMILES | CC(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)O |
Product Overview
(3-Isobutyryl-indol-1-yl)-acetic acid (CAS 797775-86-1), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid.
Chemical Property Profile of (3-Isobutyryl-indol-1-yl)-acetic acid
Property Insights of (3-Isobutyryl-indol-1-yl)-acetic acid
The XLogP value of 2.5646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Isobutyryl-indol-1-yl)-acetic acid. With a topological polar surface area (TPSA) of 59.3 Ų, (3-Isobutyryl-indol-1-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Isobutyryl-indol-1-yl)-acetic acid 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 (3-Isobutyryl-indol-1-yl)-acetic acid?
The CAS number of (3-Isobutyryl-indol-1-yl)-acetic acid is 797775-86-1.
What is the molecular formula of (3-Isobutyryl-indol-1-yl)-acetic acid?
The molecular formula of (3-Isobutyryl-indol-1-yl)-acetic acid is C14H15NO3.
What is the molecular weight of (3-Isobutyryl-indol-1-yl)-acetic acid?
The molecular weight of (3-Isobutyryl-indol-1-yl)-acetic acid is 245.11 g/mol.
Where can I buy (3-Isobutyryl-indol-1-yl)-acetic acid?
You can request a quote for (3-Isobutyryl-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-Isobutyryl-indol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Isobutyryl-indol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.