Sulfate-ionophore I
TL;DR: Sulfate-ionophore I (CAS 37042-63-0) is a chemical compound with molecular formula C22H22N4S2 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[[3-[(phenylcarbamothioylamino)methyl]phenyl]methyl]thiourea
Also Known As: Sulfate-ionophore I, 1,1'-(1,3-phenylenebis(methylene))bis(3-phenylthiourea), 1,3-[Bis(3-phenylthioureidomethyl)]benzene, 1-phenyl-3-[[3-[(phenylcarbamothioylamino)methyl]phenyl]methyl]thiourea, N',N'''-diphenyl-N,N''-m-xylylene-di-urea
| Molecular Formula | C22H22N4S2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 4.6598 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1286 |
| Heavy Atoms | 28 |
| Complexity | 841.3395 |
Chemical Identifiers
| CAS Number | 37042-63-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)CNC(=S)NC3=CC=CC=C3 |
Product Overview
Sulfate-ionophore I (CAS 37042-63-0), with molecular formula C22H22N4S2 and molecular weight 406.13 g/mol. IUPAC: 1-phenyl-3-[[3-[(phenylcarbamothioylamino)methyl]phenyl]methyl]thiourea.
Chemical Property Profile of Sulfate-ionophore I
Property Insights of Sulfate-ionophore I
The XLogP value of 4.6598 indicates that Sulfate-ionophore I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.12 Ų, Sulfate-ionophore I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfate-ionophore I has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfate-ionophore I?
The CAS number of Sulfate-ionophore I is 37042-63-0.
What is the molecular formula of Sulfate-ionophore I?
The molecular formula of Sulfate-ionophore I is C22H22N4S2.
What is the molecular weight of Sulfate-ionophore I?
The molecular weight of Sulfate-ionophore I is 406.13 g/mol.
Where can I buy Sulfate-ionophore I?
You can request a quote for Sulfate-ionophore I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfate-ionophore I?
Yes, KEHONG BIO provides custom synthesis services for Sulfate-ionophore I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.