Einecs 256-325-5
TL;DR: Einecs 256-325-5 (CAS 47623-98-3) is a chemical compound with molecular formula C19H24N4O4S2 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: DiSBAC2(3), Bis(1,3-diethylthiobarbiturate)trimethineoxonol, Bis-(1,3-diethylthiobarbiturate) trimethine oxonol, Bis(1,3-diethylthiobarbituric acid)trimethine oxonol, Bis-(1,3-diethylthiobarbituric acid)trimethineoxonol
| Molecular Formula | C19H24N4O4S2 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.1239 |
| Heavy Atoms | 29 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 47623-98-3 |
|---|---|
| SMILES | CCN1C(=O)C(C(=O)N(C1=S)CC)C=CC=C2C(=O)N(C(=S)N(C2=O)CC)CC |
| InChIKey | VJYNRXFXHKIGLT-UHFFFAOYSA-N |
Product Overview
Einecs 256-325-5 (CAS 47623-98-3), with molecular formula C19H24N4O4S2 and molecular weight 436.12 g/mol. IUPAC: 5-[3-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Einecs 256-325-5
Property Insights of Einecs 256-325-5
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 256-325-5. The TPSA of 145.0 Ų indicates high polarity, suggesting Einecs 256-325-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 256-325-5 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 Einecs 256-325-5?
The CAS number of Einecs 256-325-5 is 47623-98-3.
What is the molecular formula of Einecs 256-325-5?
The molecular formula of Einecs 256-325-5 is C19H24N4O4S2.
What is the molecular weight of Einecs 256-325-5?
The molecular weight of Einecs 256-325-5 is 436.12 g/mol.
Where can I buy Einecs 256-325-5?
You can request a quote for Einecs 256-325-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 256-325-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 256-325-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.