RefChem:476491
TL;DR: RefChem:476491 (CAS 54178-94-8) is a chemical compound with molecular formula C37H47N3O5S and molecular weight 645.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-aminophenyl)sulfonylamino]-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
Also Known As: 4-(3-Amino-4-dimethylamino-styryl)-chinolin, 2-Naphthalenecarboxamide, 4-[[(3-aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-, 2-Naphthalenecarboxamide, 4-(((3-aminophenyl)sulfonyl)amino)-N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-, 4-[(3-aminophenyl)sulfonylamino]-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide, 4-{[(3-aminophenyl)sulfonyl]amino}-n-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxy-2-naphthamide
| Molecular Formula | C37H47N3O5S |
|---|---|
| Molecular Weight | 645.32 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 645.32367 |
| Heavy Atoms | 46 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 54178-94-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)N)O)C(C)(C)CC |
| InChIKey | GYVABUSMWJYZKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:476491 (CAS 54178-94-8), with molecular formula C37H47N3O5S and molecular weight 645.32 g/mol. IUPAC: 4-[(3-aminophenyl)sulfonylamino]-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide.
Chemical Property Profile of RefChem:476491
Property Insights of RefChem:476491
The XLogP value of 9.3 indicates that RefChem:476491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:476491. Following Lipinski's Rule of Five, RefChem:476491 has 4 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 RefChem:476491?
The CAS number of RefChem:476491 is 54178-94-8.
What is the molecular formula of RefChem:476491?
The molecular formula of RefChem:476491 is C37H47N3O5S.
What is the molecular weight of RefChem:476491?
The molecular weight of RefChem:476491 is 645.32 g/mol.
Where can I buy RefChem:476491?
You can request a quote for RefChem:476491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476491?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.