(5-butyl-2-methyl-1H-indol-3-yl)acetic acid
TL;DR: (5-butyl-2-methyl-1H-indol-3-yl)acetic acid (CAS 95460-73-4) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-butyl-2-methyl-1H-indol-3-yl)acetic acid
Also Known As: (5-butyl-2-methyl-1H-indol-3-yl)acetic acid, 2-(5-butyl-2-methyl-1H-indol-3-yl)acetic Acid, BB 0248926, (5-Butyl-2-methyl-1H-indol-3-yl)-acetic acid, 2-(5-butyl-2-methyl-1H-indol-3-yl)aceticAcid
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 3.44602 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 569.12244 |
Chemical Identifiers
| CAS Number | 95460-73-4 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C |
Product Overview
(5-butyl-2-methyl-1H-indol-3-yl)acetic acid (CAS 95460-73-4), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: 2-(5-butyl-2-methyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid
Property Insights of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid
The XLogP value of 3.44602 indicates that (5-butyl-2-methyl-1H-indol-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, (5-butyl-2-methyl-1H-indol-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-butyl-2-methyl-1H-indol-3-yl)acetic acid has 2 hydrogen bond donor(s) and 1 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 (5-butyl-2-methyl-1H-indol-3-yl)acetic acid?
The CAS number of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid is 95460-73-4.
What is the molecular formula of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid?
The molecular formula of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid is C15H19NO2.
What is the molecular weight of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid?
The molecular weight of (5-butyl-2-methyl-1H-indol-3-yl)acetic acid is 245.14 g/mol.
Where can I buy (5-butyl-2-methyl-1H-indol-3-yl)acetic acid?
You can request a quote for (5-butyl-2-methyl-1H-indol-3-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 (5-butyl-2-methyl-1H-indol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-butyl-2-methyl-1H-indol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.