ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan
TL;DR: ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan (CAS 77381-13-6) is a chemical compound with molecular formula C35H46N6O4 and molecular weight 614.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
Also Known As: ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan, ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate, ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-[(4-ethoxycarbonylphenyl)amino]hexyl]carbonimidoyl]amino]benzoate
| Molecular Formula | C35H46N6O4 |
|---|---|
| Molecular Weight | 614.36 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 614.35803 |
| Heavy Atoms | 45 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 77381-13-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCC(CCC(=NC(C)(C)C)NC2=CC=C(C=C2)C(=O)OCC)(C#N)C#N |
| InChIKey | BXEPBUPUNUBFBK-UHFFFAOYSA-N |
Product Overview
ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan (CAS 77381-13-6), with molecular formula C35H46N6O4 and molecular weight 614.36 g/mol. IUPAC: ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan
Property Insights of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan
The XLogP value of 4.6 indicates that ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan has 2 hydrogen bond donor(s) and 8 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-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan?
The CAS number of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan is 77381-13-6.
What is the molecular formula of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan?
The molecular formula of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan is C35H46N6O4.
What is the molecular weight of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan?
The molecular weight of ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan is 614.36 g/mol.
Where can I buy ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan?
You can request a quote for ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[N-tert-butyl-C-[6-(N-tert-butyl-4-ethoxycarbonylan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.