RefChem:83906
TL;DR: RefChem:83906 (CAS 94006-34-5) is a chemical compound with molecular formula C36H46N4O5 and molecular weight 614.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-2,5-dihydroxyphenyl]hexanamide
Also Known As: EINECS 301-370-9, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-2,5-dihydroxyphenyl)hexanamide, 2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-[4-[[[(4-CYANOPHENYL)AMINO]CARBONYL]AMINO]-2,5-DIHYDROXYPHENYL]HEXANAMIDE, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-2,5-dihydroxyphenyl]hexanamide, 2-(2,4-Di-tert-pentylphenoxy)-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-2,5-dihydroxyphenyl]hexanamide
| Molecular Formula | C36H46N4O5 |
|---|---|
| Molecular Weight | 614.35 g/mol |
| LogP | 8.56498 |
| Topological Polar Surface Area | 143.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 614.3468 |
| Heavy Atoms | 45 |
| Complexity | 1540.225 |
Chemical Identifiers
| CAS Number | 94006-34-5 |
|---|---|
| SMILES | CCCCC(C(=O)NC1=CC(=C(C=C1O)NC(=O)NC2=CC=C(C=C2)C#N)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC |
Product Overview
RefChem:83906 (CAS 94006-34-5), with molecular formula C36H46N4O5 and molecular weight 614.35 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-2,5-dihydroxyphenyl]hexanamide.
Chemical Property Profile of RefChem:83906
Property Insights of RefChem:83906
The XLogP value of 8.56498 indicates that RefChem:83906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.71 Ų indicates high polarity, suggesting RefChem:83906 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83906 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83906?
The CAS number of RefChem:83906 is 94006-34-5.
What is the molecular formula of RefChem:83906?
The molecular formula of RefChem:83906 is C36H46N4O5.
What is the molecular weight of RefChem:83906?
The molecular weight of RefChem:83906 is 614.35 g/mol.
Where can I buy RefChem:83906?
You can request a quote for RefChem:83906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83906?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.