![(E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate structure](/static/products/844/844829-20-5.png)
(E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate
TL;DR: (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate (CAS 844829-20-5) is a chemical compound with molecular formula C19H15N5O5S2 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] methanesulfonate
Also Known As: (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate, [4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] methanesulfonate, 4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl methanesulfonate
| Molecular Formula | C19H15N5O5S2 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 2.09607 |
| Topological Polar Surface Area | 134.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.05145 |
| Heavy Atoms | 31 |
| Complexity | 1286.0217 |
Chemical Identifiers
| CAS Number | 844829-20-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OS(=O)(=O)C |
Product Overview
(E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate (CAS 844829-20-5), with molecular formula C19H15N5O5S2 and molecular weight 457.05 g/mol. IUPAC: [4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] methanesulfonate.
Chemical Property Profile of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate
Property Insights of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate
The XLogP value of 2.09607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate. The TPSA of 134.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate. Following Lipinski's Rule of Five, (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate has 1 hydrogen bond donor(s) and 9 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 (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate?
The CAS number of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate is 844829-20-5.
What is the molecular formula of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate?
The molecular formula of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate is C19H15N5O5S2.
What is the molecular weight of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate?
The molecular weight of (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate is 457.05 g/mol.
Where can I buy (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate?
You can request a quote for (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.