methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate
TL;DR: methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate (CAS 352694-96-3) is a chemical compound with molecular formula C22H21N3O3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
Also Known As: n-(3-indolylacetyl)-l-tryptophan methyl ester, methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate, (S)-methyl 2-(2-(1H-indol-3-yl)acetamido)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C22H21N3O3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 3.0922 |
| Topological Polar Surface Area | 86.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.1583 |
| Heavy Atoms | 28 |
| Complexity | 1142.0697 |
Chemical Identifiers
| CAS Number | 352694-96-3 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CC3=CNC4=CC=CC=C43 |
Product Overview
methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate (CAS 352694-96-3), with molecular formula C22H21N3O3 and molecular weight 375.16 g/mol. IUPAC: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate.
Chemical Property Profile of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate
Property Insights of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate
The XLogP value of 3.0922 indicates that methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate. Following Lipinski's Rule of Five, methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate 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 methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate?
The CAS number of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate is 352694-96-3.
What is the molecular formula of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate?
The molecular formula of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate is C22H21N3O3.
What is the molecular weight of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate?
The molecular weight of methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate is 375.16 g/mol.
Where can I buy methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate?
You can request a quote for methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1H-indol-3-ylacetyl)-L-tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.