N-(3-Indolylacetyl)-L-isoleucine
TL;DR: N-(3-Indolylacetyl)-L-isoleucine (CAS 116199-87-2) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid
Also Known As: N-(3-Indolylacetyl)-L-isoleucine, IAA-L-Ile, IAA-Ile, Indole-3-acetyl-L-isoleucine, N-(indol-3-ylacetyl)-l-isoleucine
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 116199-87-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | WPTUQMUCTTVOFW-BONVTDFDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Indolylacetyl)-L-isoleucine (CAS 116199-87-2), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid.
Chemical Property Profile of N-(3-Indolylacetyl)-L-isoleucine
Property Insights of N-(3-Indolylacetyl)-L-isoleucine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Indolylacetyl)-L-isoleucine. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Indolylacetyl)-L-isoleucine. Following Lipinski's Rule of Five, N-(3-Indolylacetyl)-L-isoleucine has 3 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 N-(3-Indolylacetyl)-L-isoleucine?
The CAS number of N-(3-Indolylacetyl)-L-isoleucine is 116199-87-2.
What is the molecular formula of N-(3-Indolylacetyl)-L-isoleucine?
The molecular formula of N-(3-Indolylacetyl)-L-isoleucine is C16H20N2O3.
What is the molecular weight of N-(3-Indolylacetyl)-L-isoleucine?
The molecular weight of N-(3-Indolylacetyl)-L-isoleucine is 288.15 g/mol.
Where can I buy N-(3-Indolylacetyl)-L-isoleucine?
You can request a quote for N-(3-Indolylacetyl)-L-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Indolylacetyl)-L-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Indolylacetyl)-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.