ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate
TL;DR: ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate (CAS 1008468-45-8) is a chemical compound with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
Also Known As: ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate, ethyl 3-(1H-indol-3-yl)-2-(4-(pentyloxy)benzamido)propanoate, ethyl 3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
| Molecular Formula | C25H30N2O4 |
|---|---|
| Molecular Weight | 422.22 g/mol |
| LogP | 4.6411 |
| Topological Polar Surface Area | 80.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.22055 |
| Heavy Atoms | 31 |
| Complexity | 994.18445 |
Chemical Identifiers
| CAS Number | 1008468-45-8 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC |
Product Overview
ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate (CAS 1008468-45-8), with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol. IUPAC: ethyl 3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate.
Chemical Property Profile of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate
Property Insights of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate
The XLogP value of 4.6411 indicates that ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate. Following Lipinski's Rule of Five, ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate has 2 hydrogen bond donor(s) and 4 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 ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate?
The CAS number of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate is 1008468-45-8.
What is the molecular formula of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate?
The molecular formula of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate is C25H30N2O4.
What is the molecular weight of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate?
The molecular weight of ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate is 422.22 g/mol.
Where can I buy ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate?
You can request a quote for ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-{[4-(pentyloxy)phenyl]carbonyl}tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.