![4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate structure](/static/products/3473/347310-74-1.webp)
4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
TL;DR: 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate (CAS 347310-74-1) is a chemical compound with molecular formula C18H14N2O6S2 and molecular weight 418.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate
Also Known As: 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate, [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate, 4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methoxybenzenesulfonate, 4-((Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl)phenyl 4-methoxybenzenesulfonate, 4-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzene-1-sulfonate
| Molecular Formula | C18H14N2O6S2 |
|---|---|
| Molecular Weight | 418.03 g/mol |
| LogP | 1.3772 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.02933 |
| Heavy Atoms | 28 |
| Complexity | 1052.0638 |
Chemical Identifiers
| CAS Number | 347310-74-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O |
Product Overview
4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate (CAS 347310-74-1), with molecular formula C18H14N2O6S2 and molecular weight 418.03 g/mol. IUPAC: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate.
Chemical Property Profile of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
Property Insights of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
The XLogP value of 1.3772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate has 2 hydrogen bond donor(s) and 7 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 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate?
The CAS number of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate is 347310-74-1.
What is the molecular formula of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate?
The molecular formula of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate is C18H14N2O6S2.
What is the molecular weight of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate?
The molecular weight of 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate is 418.03 g/mol.
Where can I buy 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate?
You can request a quote for 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.