butyl 2-amino-3-(1H-indol-3-yl)propanoate
TL;DR: butyl 2-amino-3-(1H-indol-3-yl)propanoate (CAS 7401-26-5) is a chemical compound with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-3-(1H-indol-3-yl)propanoate
Also Known As: butyl 2-amino-3-(1H-indol-3-yl)propanoate, Tryptophan butyl ester, Tryptophan, butyl ester, d,l-tryptophan butyl ester, J2.161.266I
| Molecular Formula | C15H20N2O2 |
|---|---|
| Molecular Weight | 260.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.15247 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 7401-26-5 |
|---|---|
| SMILES | CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)N |
| InChIKey | YBWXYSUDFGURNJ-UHFFFAOYSA-N |
Product Overview
butyl 2-amino-3-(1H-indol-3-yl)propanoate (CAS 7401-26-5), with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol. IUPAC: butyl 2-amino-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of butyl 2-amino-3-(1H-indol-3-yl)propanoate
Property Insights of butyl 2-amino-3-(1H-indol-3-yl)propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 2-amino-3-(1H-indol-3-yl)propanoate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2-amino-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, butyl 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 butyl 2-amino-3-(1H-indol-3-yl)propanoate?
The CAS number of butyl 2-amino-3-(1H-indol-3-yl)propanoate is 7401-26-5.
What is the molecular formula of butyl 2-amino-3-(1H-indol-3-yl)propanoate?
The molecular formula of butyl 2-amino-3-(1H-indol-3-yl)propanoate is C15H20N2O2.
What is the molecular weight of butyl 2-amino-3-(1H-indol-3-yl)propanoate?
The molecular weight of butyl 2-amino-3-(1H-indol-3-yl)propanoate is 260.15 g/mol.
Where can I buy butyl 2-amino-3-(1H-indol-3-yl)propanoate?
You can request a quote for butyl 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 butyl 2-amino-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-amino-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.