RefChem:476588
TL;DR: RefChem:476588 (CAS 63149-45-1) is a chemical compound with molecular formula C37H45N3O7S and molecular weight 675.30 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-[(3-nitrophenyl)sulfonylamino]naphthalene-2-carboxamide
Also Known As: 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[(3-nitrophenyl)sulfonyl]amino]-, 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-(((3-nitrophenyl)sulfonyl)amino)-, N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]naphthalene-2-carboxamide, n-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxy-4-{[(3-nitrophenyl)sulfonyl]amino}-2-naphthamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl ]-1-hydroxy-4-[[(3-nitrophenyl)sulfonyl ]amino]-2-naphthalenecarboxamide
| Molecular Formula | C37H45N3O7S |
|---|---|
| Molecular Weight | 675.30 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 675.29785 |
| Heavy Atoms | 48 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 63149-45-1 |
|---|---|
| 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)[O-])O)C(C)(C)CC |
| InChIKey | AWDLVFBFGNRCIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:476588 (CAS 63149-45-1), with molecular formula C37H45N3O7S and molecular weight 675.30 g/mol. IUPAC: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]naphthalene-2-carboxamide.
Chemical Property Profile of RefChem:476588
Property Insights of RefChem:476588
The XLogP value of 9.8 indicates that RefChem:476588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting RefChem:476588 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:476588 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:476588?
The CAS number of RefChem:476588 is 63149-45-1.
What is the molecular formula of RefChem:476588?
The molecular formula of RefChem:476588 is C37H45N3O7S.
What is the molecular weight of RefChem:476588?
The molecular weight of RefChem:476588 is 675.30 g/mol.
Where can I buy RefChem:476588?
You can request a quote for RefChem:476588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.