C22H18N4O7S2
TL;DR: C22H18N4O7S2 (CAS 465509-69-7) is a chemical compound with molecular formula C22H18N4O7S2 and molecular weight 514.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate
Also Known As: A3088/0130663, (E)-4-((2-(2-(benzo[d]oxazol-2-ylthio)acetyl)hydrazono)methyl)-2-methoxyphenyl 2-(2,4-dioxothiazolidin-5-yl)acetate, 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]-2-methoxyphenyl 2-(2, 4-dioxo-1,3-thiazolidin-5-yl)acetate, 4-[(E)-{[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ACETAMIDO]IMINO}METHYL]-2-METHOXYPHENYL 2-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YL)ACETATE, 4-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl (4-hydroxy-2-oxo-2,5-dihydro-1,3-thiazol-5-yl)acetate
| Molecular Formula | C22H18N4O7S2 |
|---|---|
| Molecular Weight | 514.06 g/mol |
| LogP | 2.7259 |
| Topological Polar Surface Area | 149.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.0617 |
| Heavy Atoms | 35 |
| Complexity | 1291.1315 |
Chemical Identifiers
| CAS Number | 465509-69-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)OC(=O)CC4C(=O)NC(=O)S4 |
Product Overview
C22H18N4O7S2 (CAS 465509-69-7), with molecular formula C22H18N4O7S2 and molecular weight 514.06 g/mol. IUPAC: [4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate.
Chemical Property Profile of C22H18N4O7S2
Property Insights of C22H18N4O7S2
The XLogP value of 2.7259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H18N4O7S2. The TPSA of 149.19 Ų indicates high polarity, suggesting C22H18N4O7S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H18N4O7S2 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H18N4O7S2?
The CAS number of C22H18N4O7S2 is 465509-69-7.
What is the molecular formula of C22H18N4O7S2?
The molecular formula of C22H18N4O7S2 is C22H18N4O7S2.
What is the molecular weight of C22H18N4O7S2?
The molecular weight of C22H18N4O7S2 is 514.06 g/mol.
Where can I buy C22H18N4O7S2?
You can request a quote for C22H18N4O7S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H18N4O7S2?
Yes, KEHONG BIO provides custom synthesis services for C22H18N4O7S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.