RefChem:476587
TL;DR: RefChem:476587 (CAS 18643-47-5) is a chemical compound with molecular formula C37H44N2O6 and molecular weight 612.32 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]-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamide
Also Known As: 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-, N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamide, N-[4-(2,4-di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamide, 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-(4-nitrophenoxy)-, N-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-2-naphthalenecarboxamide
| Molecular Formula | C37H44N2O6 |
|---|---|
| Molecular Weight | 612.32 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 612.31995 |
| Heavy Atoms | 45 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 18643-47-5 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)[N+](=O)[O-])O)C(C)(C)CC |
| InChIKey | ZSDDKJNSRHOOHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:476587 (CAS 18643-47-5), with molecular formula C37H44N2O6 and molecular weight 612.32 g/mol. IUPAC: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamide.
Chemical Property Profile of RefChem:476587
Property Insights of RefChem:476587
The XLogP value of 10.8 indicates that RefChem:476587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:476587. Following Lipinski's Rule of Five, RefChem:476587 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:476587?
The CAS number of RefChem:476587 is 18643-47-5.
What is the molecular formula of RefChem:476587?
The molecular formula of RefChem:476587 is C37H44N2O6.
What is the molecular weight of RefChem:476587?
The molecular weight of RefChem:476587 is 612.32 g/mol.
Where can I buy RefChem:476587?
You can request a quote for RefChem:476587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.