Copper(II) ionophore I
TL;DR: Copper(II) ionophore I (CAS 125769-67-7) is a chemical compound with molecular formula C26H44N2S4 and molecular weight 512.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[bis(2-methylpropyl)carbamothioylsulfanylmethyl]phenyl]methyl N,N-bis(2-methylpropyl)carbamodithioate
Also Known As: Copper(II) ionophore I, o-XBDiBDTC, o-Xylylenebis(N,N-diisobutyldithiocarbamate), Copper(II) ionophore I, Selectophore(TM), J1.190.927B
| Molecular Formula | C26H44N2S4 |
|---|---|
| Molecular Weight | 512.24 g/mol |
| LogP | 7.9508 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 512.2387 |
| Heavy Atoms | 32 |
| Complexity | 621.8222 |
Chemical Identifiers
| CAS Number | 125769-67-7 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=S)SCC1=CC=CC=C1CSC(=S)N(CC(C)C)CC(C)C |
Product Overview
Copper(II) ionophore I (CAS 125769-67-7), with molecular formula C26H44N2S4 and molecular weight 512.24 g/mol. IUPAC: [2-[bis(2-methylpropyl)carbamothioylsulfanylmethyl]phenyl]methyl N,N-bis(2-methylpropyl)carbamodithioate.
Chemical Property Profile of Copper(II) ionophore I
Property Insights of Copper(II) ionophore I
The XLogP value of 7.9508 indicates that Copper(II) ionophore I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, Copper(II) ionophore I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Copper(II) ionophore I has 0 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 Copper(II) ionophore I?
The CAS number of Copper(II) ionophore I is 125769-67-7.
What is the molecular formula of Copper(II) ionophore I?
The molecular formula of Copper(II) ionophore I is C26H44N2S4.
What is the molecular weight of Copper(II) ionophore I?
The molecular weight of Copper(II) ionophore I is 512.24 g/mol.
Where can I buy Copper(II) ionophore I?
You can request a quote for Copper(II) ionophore I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copper(II) ionophore I?
Yes, KEHONG BIO provides custom synthesis services for Copper(II) ionophore I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.