3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
TL;DR: 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate (CAS 54430-85-2) is a chemical compound with molecular formula C43H43N3O4 and molecular weight 665.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-(tritylamino)ethyl]-1H-indol-5-yl] 6-(phenylmethoxycarbonylamino)hexanoate
Also Known As: 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate, [3-[2-(tritylamino)ethyl]-1H-indol-5-yl] 6-(phenylmethoxycarbonylamino)hexanoate, [3-[2-(tritylamino)ethyl]-1H-indol-5-yl] 6-phenylmethoxycarbonylaminohexanoate, 3-[2-(tritylamino)ethyl]-1H-indol-5-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate, 3-{2-[(triphenylmethyl)amino]ethyl}-1H-indol-5-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
| Molecular Formula | C43H43N3O4 |
|---|---|
| Molecular Weight | 665.33 g/mol |
| LogP | 8.6843 |
| Topological Polar Surface Area | 92.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 665.3254 |
| Heavy Atoms | 50 |
| Complexity | 1847.4991 |
Chemical Identifiers
| CAS Number | 54430-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)NC=C3CCNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate (CAS 54430-85-2), with molecular formula C43H43N3O4 and molecular weight 665.33 g/mol. IUPAC: [3-[2-(tritylamino)ethyl]-1H-indol-5-yl] 6-(phenylmethoxycarbonylamino)hexanoate.
Chemical Property Profile of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
Property Insights of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
The XLogP value of 8.6843 indicates that 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate. Following Lipinski's Rule of Five, 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
The CAS number of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is 54430-85-2.
What is the molecular formula of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
The molecular formula of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is C43H43N3O4.
What is the molecular weight of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
The molecular weight of 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate is 665.33 g/mol.
Where can I buy 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
You can request a quote for 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Tritylamino)ethyl)-1H-indol-5-yl 6-(((benzyloxy)carbonyl)amino)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.