3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester
TL;DR: 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester (CAS 73816-51-0) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-(1-methylindol-3-yl)propanoate
Also Known As: Methyl alpha-acetamido-1-methyl-3-indolepropionate, N(sup alpha)-Acetyl-N-methyltryptophan methyl ester, methyl 2-acetamido-3-(1-methylindol-3-yl)propanoate, (E)-5-Benzyloxy-4-methyl-pent-2-en-1-ol, alpha-Acetamido-1-methyl-3-indolepropionic acid methyl ester
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 73816-51-0 |
|---|---|
| SMILES | CC(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)OC |
| InChIKey | HXUDOEOOKOEWJJ-UHFFFAOYSA-N |
Product Overview
3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester (CAS 73816-51-0), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: methyl 2-acetamido-3-(1-methylindol-3-yl)propanoate.
Chemical Property Profile of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester
Property Insights of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester. Following Lipinski's Rule of Five, 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester has 1 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 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester?
The CAS number of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester is 73816-51-0.
What is the molecular formula of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester?
The molecular formula of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester is C15H18N2O3.
What is the molecular weight of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester?
The molecular weight of 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester is 274.13 g/mol.
Where can I buy 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester?
You can request a quote for 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Indolepropionic acid, alpha-acetamido-1-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.