![Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate structure](/static/products/3214/321431-04-3.webp)
Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate
TL;DR: Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate (CAS 321431-04-3) is a chemical compound with molecular formula C12H11ClN2O3S2 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate
Also Known As: 1H-306S, isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate, propan-2-yl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate, propan-2-yl 5-(4-chlorobenzenesulfinyl)-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C12H11ClN2O3S2 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 2.9234 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.98996 |
| Heavy Atoms | 20 |
| Complexity | 640.4069 |
Chemical Identifiers
| CAS Number | 321431-04-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SN=N1)S(=O)C2=CC=C(C=C2)Cl |
Product Overview
Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate (CAS 321431-04-3), with molecular formula C12H11ClN2O3S2 and molecular weight 329.99 g/mol. IUPAC: propan-2-yl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate.
Chemical Property Profile of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate
Property Insights of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 2.9234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate is 321431-04-3.
What is the molecular formula of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate is C12H11ClN2O3S2.
What is the molecular weight of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate is 329.99 g/mol.
Where can I buy Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5-[(4-chlorophenyl)sulfinyl]-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.