![[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate structure](/static/products/6391/6391-99-7.webp)
[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate
TL;DR: [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate (CAS 6391-99-7) 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.
[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate
Also Known As: [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate|AH-487/40686328|SR-01000233493-1|2-[(4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE)METHYL]-6-METHOXYPHENYL BENZENESULFONATE|2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenyl benzenesulfonate|2-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-6-methoxyphenyl benzenesulfonate|2-{[4,6-DIOXO-2-THIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}-6-METHOXYPHENYL 1-BENZENESULFONATE
| 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 | 1072.3138 |
Chemical Identifiers
| CAS Number | 6391-99-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=C3C(=O)NC(=S)NC3=O |
Product Overview
[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate (CAS 6391-99-7), with molecular formula C18H14N2O6S2 and molecular weight 418.03 g/mol. IUPAC: [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate.
Chemical Property Profile of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate
Property Insights of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate
The XLogP value of 1.3772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate. Following Lipinski's Rule of Five, [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate 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 [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate?
The CAS number of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate is 6391-99-7.
What is the molecular formula of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate?
The molecular formula of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate is C18H14N2O6S2.
What is the molecular weight of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate?
The molecular weight of [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate is 418.03 g/mol.
Where can I buy [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate?
You can request a quote for [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.