ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate (CAS 533865-54-2) is a chemical compound with molecular formula C32H29N3O4S and molecular weight 551.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate
Also Known As: ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate, F0554-0828, ethyl 4-{2-[(1-{2-[(naphthalen-2-yl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate
| Molecular Formula | C32H29N3O4S |
|---|---|
| Molecular Weight | 551.19 g/mol |
| LogP | 6.132 |
| Topological Polar Surface Area | 89.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 551.18787 |
| Heavy Atoms | 40 |
| Complexity | 1677.3121 |
Chemical Identifiers
| CAS Number | 533865-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC5=CC=CC=C5C=C4 |
Product Overview
ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate (CAS 533865-54-2), with molecular formula C32H29N3O4S and molecular weight 551.19 g/mol. IUPAC: ethyl 4-[[2-[1-[2-(naphthalene-2-carbonylamino)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
The XLogP value of 6.132 indicates that ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate has 2 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 ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is 533865-54-2.
What is the molecular formula of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is C32H29N3O4S.
What is the molecular weight of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is 551.19 g/mol.
Where can I buy ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((1-(2-(2-naphthamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.