RefChem:476547
TL;DR: RefChem:476547 (CAS 5084-12-8) is a chemical compound with molecular formula C38H45N5O3S and molecular weight 651.32434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide
Also Known As: BAS 00412405, 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-, N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenylt etrazol-5-yl)sulfanyl-naphthalene-2-carboxamide, N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C38H45N5O3S |
| Molecular Weight | 651.32434 g/mol |
| XLogP | 11.2 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 651.32434 Da |
| Heavy Atoms | 47 |
| Complexity | 977.0 |
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O)C(C)(C)CC |
| InChIKey | CFRUNFQXALDGBM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:476547
Property Insights of RefChem:476547
The XLogP value of 11.2 indicates that RefChem:476547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:476547. Following Lipinski's Rule of Five, RefChem:476547 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:476547?
The CAS number of RefChem:476547 is 5084-12-8.
What is the molecular formula of RefChem:476547?
The molecular formula of RefChem:476547 is C38H45N5O3S.
What is the molecular weight of RefChem:476547?
The molecular weight of RefChem:476547 is 651.32434 g/mol.
Where can I buy RefChem:476547?
You can request a quote for RefChem:476547 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:476547?
Yes, CoreyChem provides custom synthesis services for RefChem:476547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.