RefChem:859877
TL;DR: RefChem:859877 (CAS 56912-29-9) is a chemical compound with molecular formula C48H63ClN2O8S2 and molecular weight 894.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
Also Known As: dimethyl-[(4-nitrophenyl)methyl]sulfanium,nitrate, Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-, (4-bromophenyl)methyl-dodecyl-methylsulfanium,chloride, (4-carboxyphenyl)methyl-dodecyl-methylsulfanium,chloride, dodecyl-[(3-fluorophenyl)methyl]-methylsulfanium,chloride
| Molecular Formula | C48H63ClN2O8S2 |
|---|---|
| Molecular Weight | 894.37 g/mol |
| LogP | 14.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 28 |
| Exact Mass | 894.37146 |
| Heavy Atoms | 61 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 56912-29-9 |
|---|---|
| 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)OCC4=CC=CC=C4 |
| InChIKey | WUJTWJZEQRSSPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:859877 (CAS 56912-29-9), with molecular formula C48H63ClN2O8S2 and molecular weight 894.37 g/mol. IUPAC: N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide.
Chemical Property Profile of RefChem:859877
Property Insights of RefChem:859877
The XLogP value of 14.3 indicates that RefChem:859877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:859877 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:859877 has 2 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:859877?
The CAS number of RefChem:859877 is 56912-29-9.
What is the molecular formula of RefChem:859877?
The molecular formula of RefChem:859877 is C48H63ClN2O8S2.
What is the molecular weight of RefChem:859877?
The molecular weight of RefChem:859877 is 894.37 g/mol.
Where can I buy RefChem:859877?
You can request a quote for RefChem:859877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:859877?
Yes, KEHONG BIO provides custom synthesis services for RefChem:859877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.