Samarium(III) Ionophore II
TL;DR: Samarium(III) Ionophore II (CAS 120097-53-2) is a chemical compound with molecular formula C14H20N4S6 and molecular weight 436.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,12,14-tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione
Also Known As: Samarium(III) Ionophore II, Et4todit, tetraethyl[?]dithione, NCI60_010979, J1.971.931F
| Molecular Formula | C14H20N4S6 |
|---|---|
| Molecular Weight | 436.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.00122 |
| Heavy Atoms | 24 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 120097-53-2 |
|---|---|
| SMILES | CCN1C2=C(N(C1=S)CC)SSSSC3=C2N(C(=S)N3CC)CC |
| InChIKey | UCISCPCNYYIDSW-UHFFFAOYSA-N |
Product Overview
Samarium(III) Ionophore II (CAS 120097-53-2), with molecular formula C14H20N4S6 and molecular weight 436.00 g/mol. IUPAC: 3,5,12,14-tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione.
Chemical Property Profile of Samarium(III) Ionophore II
Property Insights of Samarium(III) Ionophore II
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Samarium(III) Ionophore II. The TPSA of 178.0 Ų indicates high polarity, suggesting Samarium(III) Ionophore II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Samarium(III) Ionophore II has 0 hydrogen bond donor(s) and 6 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 Samarium(III) Ionophore II?
The CAS number of Samarium(III) Ionophore II is 120097-53-2.
What is the molecular formula of Samarium(III) Ionophore II?
The molecular formula of Samarium(III) Ionophore II is C14H20N4S6.
What is the molecular weight of Samarium(III) Ionophore II?
The molecular weight of Samarium(III) Ionophore II is 436.00 g/mol.
Where can I buy Samarium(III) Ionophore II?
You can request a quote for Samarium(III) Ionophore II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Samarium(III) Ionophore II?
Yes, KEHONG BIO provides custom synthesis services for Samarium(III) Ionophore II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.