![ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate structure](/static/products/866/866042-08-2.png)
ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate (CAS 866042-08-2) is a chemical compound with molecular formula C22H19F2N3O6S2 and molecular weight 523.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[bis[(4-fluorophenyl)methoxycarbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, ethyl 2-[[5-[bis[(4-fluorophenyl)methoxycarbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl 2-({5-[bis({[(4-fluorophenyl)methoxy]carbonyl})amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, ethyl2-({5-[bis({[(4-fluorophenyl)methoxy]carbonyl})amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C22H19F2N3O6S2 |
|---|---|
| Molecular Weight | 523.07 g/mol |
| LogP | 4.9515 |
| Topological Polar Surface Area | 107.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.06836 |
| Heavy Atoms | 35 |
| Complexity | 1097.2576 |
Chemical Identifiers
| CAS Number | 866042-08-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)N(C(=O)OCC2=CC=C(C=C2)F)C(=O)OCC3=CC=C(C=C3)F |
Product Overview
ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate (CAS 866042-08-2), with molecular formula C22H19F2N3O6S2 and molecular weight 523.07 g/mol. IUPAC: ethyl 2-[[5-[bis[(4-fluorophenyl)methoxycarbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
The XLogP value of 4.9515 indicates that ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate is 866042-08-2.
What is the molecular formula of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate is C22H19F2N3O6S2.
What is the molecular weight of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate is 523.07 g/mol.
Where can I buy ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[5-(bis{[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.