Benzyl 2-amino-3-(1H-indol-3-yl)propanoate
TL;DR: Benzyl 2-amino-3-(1H-indol-3-yl)propanoate (CAS 141595-98-4) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-(1H-indol-3-yl)propanoate
Also Known As: L-Tryptophan benzyl ester, Tryptophane benzyl ester, benzyl D-tryptophanate, D-Tryptophan benzyl ester, 2-Chloropyrimidine-4-carboxamide
| Molecular Formula | C18H18N2O2 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.13684 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 141595-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N |
| InChIKey | TYQYRKDGHAPZRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-amino-3-(1H-indol-3-yl)propanoate (CAS 141595-98-4), with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol. IUPAC: benzyl 2-amino-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate
Property Insights of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate
The XLogP value of 3.0 indicates that Benzyl 2-amino-3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-amino-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, Benzyl 2-amino-3-(1H-indol-3-yl)propanoate has 2 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 Benzyl 2-amino-3-(1H-indol-3-yl)propanoate?
The CAS number of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate is 141595-98-4.
What is the molecular formula of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate?
The molecular formula of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate is C18H18N2O2.
What is the molecular weight of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate?
The molecular weight of Benzyl 2-amino-3-(1H-indol-3-yl)propanoate is 294.14 g/mol.
Where can I buy Benzyl 2-amino-3-(1H-indol-3-yl)propanoate?
You can request a quote for Benzyl 2-amino-3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-amino-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-amino-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.