Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
TL;DR: Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate (CAS 613251-63-1) is a chemical compound with molecular formula C18H18N2O2S3 and molecular weight 390.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: ISOPROPYL ((5-((1-NAPHTHYLMETHYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETATE, isopropyl 2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetate, propan-2-yl ({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, propan-2-yl 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, [5-(Naphthalen-1-ylmethylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetic acid isopropyl ester
| Molecular Formula | C18H18N2O2S3 |
|---|---|
| Molecular Weight | 390.05 g/mol |
| LogP | 5.0273 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.05304 |
| Heavy Atoms | 25 |
| Complexity | 858.90826 |
Chemical Identifiers
| CAS Number | 613251-63-1 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32 |
Product Overview
Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate (CAS 613251-63-1), with molecular formula C18H18N2O2S3 and molecular weight 390.05 g/mol. IUPAC: propan-2-yl 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
Property Insights of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
The XLogP value of 5.0273 indicates that Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
The CAS number of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is 613251-63-1.
What is the molecular formula of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
The molecular formula of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is C18H18N2O2S3.
What is the molecular weight of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
The molecular weight of Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is 390.05 g/mol.
Where can I buy Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
You can request a quote for Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl ((5-((1-naphthylmethyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.