(E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate
TL;DR: (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate (CAS 487020-27-9) is a chemical compound with molecular formula C25H18N4O5S2 and molecular weight 518.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] benzenesulfonate
Also Known As: (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate, [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] benzenesulfonate, 4-[(E)-2-cyano-2-{(5Z)-5-[(phenylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethenyl]-2-methoxyphenyl benzenesulfonate, N-[5-[2-[4-(benzenesulfonyloxy)-3-methoxy-phenyl]-1-cyano-ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C25H18N4O5S2 |
|---|---|
| Molecular Weight | 518.07 g/mol |
| LogP | 4.63088 |
| Topological Polar Surface Area | 131.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.07184 |
| Heavy Atoms | 36 |
| Complexity | 1560.9998 |
Chemical Identifiers
| CAS Number | 487020-27-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NN=C(S2)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4 |
Product Overview
(E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate (CAS 487020-27-9), with molecular formula C25H18N4O5S2 and molecular weight 518.07 g/mol. IUPAC: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] benzenesulfonate.
Chemical Property Profile of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate
Property Insights of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate
The XLogP value of 4.63088 indicates that (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate. Following Lipinski's Rule of Five, (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate?
The CAS number of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate is 487020-27-9.
What is the molecular formula of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate?
The molecular formula of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate is C25H18N4O5S2.
What is the molecular weight of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate?
The molecular weight of (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate is 518.07 g/mol.
Where can I buy (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate?
You can request a quote for (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanovinyl)-2-methoxyphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.