![[2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate structure](/static/products/6140/6140-72-3.webp)
[2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
TL;DR: [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate (CAS 6140-72-3) is a chemical compound with molecular formula C19H16N2O7S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
Also Known As: [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate|2-Methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate|2-Methoxy-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C19H16N2O7S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 1.52072 |
| Topological Polar Surface Area | 127.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0678 |
| Heavy Atoms | 29 |
| Complexity | 1113.6477 |
Chemical Identifiers
| CAS Number | 6140-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=C3C(=O)NC(=O)NC3=O)OC |
Product Overview
[2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate (CAS 6140-72-3), with molecular formula C19H16N2O7S and molecular weight 416.07 g/mol. IUPAC: [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
Property Insights of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
The XLogP value of 1.52072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate. The TPSA of 127.87 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate 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-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate?
The CAS number of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate is 6140-72-3.
What is the molecular formula of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate?
The molecular formula of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate is C19H16N2O7S.
What is the molecular weight of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate?
The molecular weight of [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate is 416.07 g/mol.
Where can I buy [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate?
You can request a quote for [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.