RefChem:859879
TL;DR: RefChem:859879 (CAS 51599-32-7) is a chemical compound with molecular formula C40H51ClN6O4S and molecular weight 746.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpentanamide
Also Known As: Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-, Pentanamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-4,4-dimethyl-3-oxo-2-((1-phenyl-1H-tetrazol-5-yl)thio)-, N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpentanamide, 2-Naphthalenecarboxamide,4-((1-ethyl-1H-tetrazol-5-yl)thio)-1-hydroxy-N-(2-(tetradecyloxy)phenyl), N-(5-((4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-4,4-dimethyl-3-oxo-2-((1-phenyl-1H-tetrazol-5-yl)thio)valeramide
| Molecular Formula | C40H51ClN6O4S |
|---|---|
| Molecular Weight | 746.34 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 746.3381 |
| Heavy Atoms | 52 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 51599-32-7 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)SC3=NN=NN3C4=CC=CC=C4)C(C)(C)CC |
| InChIKey | VLJSFMSQZCVLRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:859879 (CAS 51599-32-7), with molecular formula C40H51ClN6O4S and molecular weight 746.34 g/mol. IUPAC: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpentanamide.
Chemical Property Profile of RefChem:859879
Property Insights of RefChem:859879
The XLogP value of 11.1 indicates that RefChem:859879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting RefChem:859879 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:859879 has 2 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:859879?
The CAS number of RefChem:859879 is 51599-32-7.
What is the molecular formula of RefChem:859879?
The molecular formula of RefChem:859879 is C40H51ClN6O4S.
What is the molecular weight of RefChem:859879?
The molecular weight of RefChem:859879 is 746.34 g/mol.
Where can I buy RefChem:859879?
You can request a quote for RefChem:859879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:859879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:859879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.