C22H22N4O5S3
TL;DR: C22H22N4O5S3 (CAS 315200-91-0) is a chemical compound with molecular formula C22H22N4O5S3 and molecular weight 518.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
Also Known As: (E)-4-((2-(2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate, 4-{(E)-[({[5-(BENZYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]SULFANYL}ACETYL)HYDRAZONO]METHYL}-2,6-DIMETHOXYPHENYL ACETATE, 4-{(E)-[2-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
| Molecular Formula | C22H22N4O5S3 |
|---|---|
| Molecular Weight | 518.08 g/mol |
| LogP | 4.0153 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 518.07526 |
| Heavy Atoms | 34 |
| Complexity | 1129.4468 |
Chemical Identifiers
| CAS Number | 315200-91-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3)OC |
Product Overview
C22H22N4O5S3 (CAS 315200-91-0), with molecular formula C22H22N4O5S3 and molecular weight 518.08 g/mol. IUPAC: [4-[(E)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of C22H22N4O5S3
Property Insights of C22H22N4O5S3
The XLogP value of 4.0153 indicates that C22H22N4O5S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H22N4O5S3. Following Lipinski's Rule of Five, C22H22N4O5S3 has 1 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 C22H22N4O5S3?
The CAS number of C22H22N4O5S3 is 315200-91-0.
What is the molecular formula of C22H22N4O5S3?
The molecular formula of C22H22N4O5S3 is C22H22N4O5S3.
What is the molecular weight of C22H22N4O5S3?
The molecular weight of C22H22N4O5S3 is 518.08 g/mol.
Where can I buy C22H22N4O5S3?
You can request a quote for C22H22N4O5S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H22N4O5S3?
Yes, KEHONG BIO provides custom synthesis services for C22H22N4O5S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.