RefChem:476552
TL;DR: RefChem:476552 (CAS 65749-36-2) is a chemical compound with molecular formula C42H55N3O4 and molecular weight 665.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide
Also Known As: 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-, thiomorpholin-4-yl(3,4,5-trimethoxyphenyl)methanone, 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-1,4-dihydro-1-oxo-, (4e)-n-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-({4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}imino)-1-oxo-1,4-dihydronaphthalene-2-carboxamide, N-(4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyl)-4-((4-(N-ethyl-N-(2-hydroxyethyl)amino)-2-methylphenyl)imino)-1,4-dihydro-1-oxo-2-naphthalenecarboxamide
| Molecular Formula | C42H55N3O4 |
|---|---|
| Molecular Weight | 665.42 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 665.41925 |
| Heavy Atoms | 49 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 65749-36-2 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C(C=C(C=C3)N(CC)CCO)C)C4=CC=CC=C4C2=O)C(C)(C)CC |
| InChIKey | XGGOANIEEUCIAR-UHFFFAOYSA-N |
Product Overview
RefChem:476552 (CAS 65749-36-2), with molecular formula C42H55N3O4 and molecular weight 665.42 g/mol. IUPAC: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide.
Chemical Property Profile of RefChem:476552
Property Insights of RefChem:476552
The XLogP value of 10.3 indicates that RefChem:476552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:476552. Following Lipinski's Rule of Five, RefChem:476552 has 2 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:476552?
The CAS number of RefChem:476552 is 65749-36-2.
What is the molecular formula of RefChem:476552?
The molecular formula of RefChem:476552 is C42H55N3O4.
What is the molecular weight of RefChem:476552?
The molecular weight of RefChem:476552 is 665.42 g/mol.
Where can I buy RefChem:476552?
You can request a quote for RefChem:476552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476552?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.