C32H51NNiO2S
TL;DR: C32H51NNiO2S (CAS 14516-71-3) is a chemical compound with molecular formula C32H51NNiO2S and molecular weight 571.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-1-amine;nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate
Also Known As: Ultraviolet absorbent UV-1084, ACN-S002209, 2,2'-Thiobis(4-tert-octylphenolato)-n-butylamine nickel(II), Nickel, (1-butanamine)[[2,2'-(thio-.kappa.S)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-.kappa.O]](2-)]-, (Butylamine)[2,2'-thiobis(4-tert-octylphenolato)]nickel(II)
| Molecular Formula | C32H51NNiO2S |
|---|---|
| Molecular Weight | 571.30 g/mol |
| LogP | 8.16 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 571.2994 |
| Heavy Atoms | 37 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 14516-71-3 |
|---|---|
| SMILES | CCCCN.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 | DPLLDVMBMPQDCO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C32H51NNiO2S (CAS 14516-71-3), with molecular formula C32H51NNiO2S and molecular weight 571.30 g/mol. IUPAC: butan-1-amine;nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate.
Chemical Property Profile of C32H51NNiO2S
Property Insights of C32H51NNiO2S
The XLogP value of 8.16 indicates that C32H51NNiO2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C32H51NNiO2S. Following Lipinski's Rule of Five, C32H51NNiO2S 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 C32H51NNiO2S?
The CAS number of C32H51NNiO2S is 14516-71-3.
What is the molecular formula of C32H51NNiO2S?
The molecular formula of C32H51NNiO2S is C32H51NNiO2S.
What is the molecular weight of C32H51NNiO2S?
The molecular weight of C32H51NNiO2S is 571.30 g/mol.
Where can I buy C32H51NNiO2S?
You can request a quote for C32H51NNiO2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H51NNiO2S?
Yes, KEHONG BIO provides custom synthesis services for C32H51NNiO2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.