RefChem:859875
TL;DR: RefChem:859875 (CAS 60247-61-2) is a chemical compound with molecular formula C41H57ClN2O8S2 and molecular weight 804.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxopentanamide
Also Known As: Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-, N-(2-Chloro-5-(hexadecanesulfonamido)phenyl)-alpha-(4-(4-hydroxyphenylsulfonyl)phenoxy)-alpha-pivaloylacetamide, Pentanamide, N-(2-chloro-5-((hexadecylsulfonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulfonyl)phenoxy)-4,4-dimethyl-3-oxo-, N-(2-Chloro-5-((hexadecylsulphonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulphonyl)phenoxy)-4,4-dimethyl-3-oxovaleramide, N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxopentanamide
| Molecular Formula | C41H57ClN2O8S2 |
|---|---|
| Molecular Weight | 804.32 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 25 |
| Exact Mass | 804.32446 |
| Heavy Atoms | 54 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 60247-61-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O |
| InChIKey | KNWWADFQECPVGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:859875 (CAS 60247-61-2), with molecular formula C41H57ClN2O8S2 and molecular weight 804.32 g/mol. IUPAC: N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of RefChem:859875
Property Insights of RefChem:859875
The XLogP value of 12.5 indicates that RefChem:859875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:859875 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:859875 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:859875?
The CAS number of RefChem:859875 is 60247-61-2.
What is the molecular formula of RefChem:859875?
The molecular formula of RefChem:859875 is C41H57ClN2O8S2.
What is the molecular weight of RefChem:859875?
The molecular weight of RefChem:859875 is 804.32 g/mol.
Where can I buy RefChem:859875?
You can request a quote for RefChem:859875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:859875?
Yes, KEHONG BIO provides custom synthesis services for RefChem:859875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.