ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili
TL;DR: ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili (CAS 77381-18-1) is a chemical compound with molecular formula C33H41N7O2 and molecular weight 567.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanilino)propyl]-2-cyano-5-(2-cyanoanilino)pentanoate
Also Known As: ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili, ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanilino)propyl]-2-cyano-5-(2-cyanoanilino)pentanoate, Ethyl (5Z)-5-(tert-butylimino)-2-[(3E)-3-(tert-butylimino)-3-(2-cyanoanilino)propyl]-2-cyano-5-(2-cyanoanilino)pentanoate
| Molecular Formula | C33H41N7O2 |
|---|---|
| Molecular Weight | 567.33 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 567.33215 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 77381-18-1 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=NC(C)(C)C)NC1=CC=CC=C1C#N)(CCC(=NC(C)(C)C)NC2=CC=CC=C2C#N)C#N |
| InChIKey | BALXPSLDZCGDNG-UHFFFAOYSA-N |
Product Overview
ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili (CAS 77381-18-1), with molecular formula C33H41N7O2 and molecular weight 567.33 g/mol. IUPAC: ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanilino)propyl]-2-cyano-5-(2-cyanoanilino)pentanoate.
Chemical Property Profile of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili
Property Insights of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili
The XLogP value of 5.2 indicates that ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili?
The CAS number of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili is 77381-18-1.
What is the molecular formula of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili?
The molecular formula of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili is C33H41N7O2.
What is the molecular weight of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili?
The molecular weight of ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili is 567.33 g/mol.
Where can I buy ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili?
You can request a quote for ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2-cyanoanili and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.