Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-
TL;DR: Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- (CAS 82497-99-2) is a chemical compound with molecular formula C30H24N4NiO8 and molecular weight 626.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-(anilinomethyl)-1,3-benzoxazol-2-one);nickel(2+);oxalate
Also Known As: Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-, 3-(anilinomethyl)-1,3-benzoxazol-2-one; nickel(2+); oxalate, 3-(anilinomethyl)benzooxazol-2-one; Nickel(+2) Cation; Oxalate, Nickel(2+) ethanedioate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/1/2), RefChem:365528
| Molecular Formula | C30H24N4NiO8 |
|---|---|
| Molecular Weight | 626.09 g/mol |
| LogP | 1.8119 |
| Topological Polar Surface Area | 174.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 626.0947 |
| Heavy Atoms | 43 |
| Complexity | 1756.6653 |
Chemical Identifiers
| CAS Number | 82497-99-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C(=O)(C(=O)[O-])[O-].[Ni+2] |
Product Overview
Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- (CAS 82497-99-2), with molecular formula C30H24N4NiO8 and molecular weight 626.09 g/mol. IUPAC: bis(3-(anilinomethyl)-1,3-benzoxazol-2-one);nickel(2+);oxalate.
Chemical Property Profile of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-
Property Insights of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-
The XLogP value of 1.8119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-. The TPSA of 174.6 Ų indicates high polarity, suggesting Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-?
The CAS number of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- is 82497-99-2.
What is the molecular formula of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-?
The molecular formula of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- is C30H24N4NiO8.
What is the molecular weight of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-?
The molecular weight of Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- is 626.09 g/mol.
Where can I buy Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-?
You can request a quote for Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-?
Yes, KEHONG BIO provides custom synthesis services for Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.