RefChem:853983
TL;DR: RefChem:853983 (CAS 67763-27-3) is a chemical compound with molecular formula C31H48NiO3S and molecular weight 558.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate;nickel(2+);propan-2-olate
Also Known As: Nickel, (2-propanol)[[2,2'-(thio-.kappa.S)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-.kappa.O]](2-)]-, (propan-2-ol)[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel, Nickel, (2-propanol)((2,2'-(thio-kappaS)bis(4-(1,1,3,3-tetramethylbutyl)phenolato-kappaO))(2-))-, nickel(2+) 2-{[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl}-4-(2,4,4-trimethylpentan-2-yl)phenolate propan-2-olate(1:1:1), Nickel, (2-propanol)[[2,2'-(thio-kappaS)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-kappaO]](2-)]-
| Molecular Formula | C31H48NiO3S |
|---|---|
| Molecular Weight | 558.27 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 558.26776 |
| Heavy Atoms | 36 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 67763-27-3 |
|---|---|
| SMILES | CC(C)[O-].CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2] |
| InChIKey | RCWBJBKRDIWPGN-UHFFFAOYSA-M |
Product Overview
RefChem:853983 (CAS 67763-27-3), with molecular formula C31H48NiO3S and molecular weight 558.27 g/mol. IUPAC: 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate;nickel(2+);propan-2-olate.
Chemical Property Profile of RefChem:853983
Property Insights of RefChem:853983
The XLogP value of 7.8 indicates that RefChem:853983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:853983. Following Lipinski's Rule of Five, RefChem:853983 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:853983?
The CAS number of RefChem:853983 is 67763-27-3.
What is the molecular formula of RefChem:853983?
The molecular formula of RefChem:853983 is C31H48NiO3S.
What is the molecular weight of RefChem:853983?
The molecular weight of RefChem:853983 is 558.27 g/mol.
Where can I buy RefChem:853983?
You can request a quote for RefChem:853983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:853983?
Yes, KEHONG BIO provides custom synthesis services for RefChem:853983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.