2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole
TL;DR: 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole (CAS 344940-93-8) is a chemical compound with molecular formula C13H10N4O4S2 and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2E,4E)-5-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 2,2'-DIMERCAPTO-4,4',6,6'-TETRAHYDROXY-PYRIMIDINO-5,5'PENTAMETHINE OXONOLE, 1-(4-OXO-6-HYDROXY-2-THIOXO-2,3,4,5-TETRAHYDRO-PYRIMIDO-5-YLIDEN)-5-(4,6-DIOXO-2-THIOXO-HEXAHYDRO-PYRIMIDO-5-YL)-PENTADIENE-2,4, 5-[(2E,4E)-5-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2E,4E)-5-(4,6-Dioxo-2-sulfanylidenehexahydro-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2-sulfanylidenedihydro-4,6(1H,5H)-pyrimidinedione, 5-[5-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C13H10N4O4S2 |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | -1.2968 |
| Topological Polar Surface Area | 116.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.01434 |
| Heavy Atoms | 23 |
| Complexity | 681.48615 |
Chemical Identifiers
| CAS Number | 344940-93-8 |
|---|---|
| SMILES | C(=C/C=C1C(=O)NC(=S)NC1=O)\C=C\C2C(=O)NC(=S)NC2=O |
Product Overview
2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole (CAS 344940-93-8), with molecular formula C13H10N4O4S2 and molecular weight 350.01 g/mol. IUPAC: 5-[(2E,4E)-5-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole
Property Insights of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole
The XLogP value of -1.2968 indicates that 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole. Following Lipinski's Rule of Five, 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole has 4 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 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole?
The CAS number of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole is 344940-93-8.
What is the molecular formula of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole?
The molecular formula of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole is C13H10N4O4S2.
What is the molecular weight of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole?
The molecular weight of 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole is 350.01 g/mol.
Where can I buy 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole?
You can request a quote for 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.