![Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate structure](/static/products/100/1004022-26-7.png)
Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
TL;DR: Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate (CAS 1004022-26-7) is a chemical compound with molecular formula C15H19N3O3S2 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, tert-butyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C15H19N3O3S2 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 3.7241 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.0868 |
| Heavy Atoms | 23 |
| Complexity | 667.9819 |
Chemical Identifiers
| CAS Number | 1004022-26-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=NN=C(S1)NC2=CC(=CC=C2)OC |
Product Overview
Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate (CAS 1004022-26-7), with molecular formula C15H19N3O3S2 and molecular weight 353.09 g/mol. IUPAC: tert-butyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
Property Insights of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
The XLogP value of 3.7241 indicates that Tert-butyl 2-({5-[(3-methoxyphenyl)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 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate has 1 hydrogen bond donor(s) and 8 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 Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The CAS number of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is 1004022-26-7.
What is the molecular formula of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The molecular formula of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is C15H19N3O3S2.
What is the molecular weight of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The molecular weight of Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is 353.09 g/mol.
Where can I buy Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
You can request a quote for Tert-butyl 2-({5-[(3-methoxyphenyl)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 Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-({5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.