2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate
TL;DR: 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate (CAS 338400-22-9) is a chemical compound with molecular formula C12H6ClN3O5S3 and molecular weight 402.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenyl) 5-(thiadiazol-4-yl)thiophene-2-sulfonate
Also Known As: 2-chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate, 2M-025, (2-chloro-4-nitrophenyl) 5-(thiadiazol-4-yl)thiophene-2-sulfonate, 2-chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)thiophene-2-sulfonate, 4-[5-(2-chloro-4-nitro-phenoxy)sulfonylthiophen-2-yl]thiadiazole
| Molecular Formula | C12H6ClN3O5S3 |
|---|---|
| Molecular Weight | 402.92 g/mol |
| LogP | 3.5959 |
| Topological Polar Surface Area | 112.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.9158 |
| Heavy Atoms | 24 |
| Complexity | 1000.88226 |
Chemical Identifiers
| CAS Number | 338400-22-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)OS(=O)(=O)C2=CC=C(S2)C3=CSN=N3 |
Product Overview
2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate (CAS 338400-22-9), with molecular formula C12H6ClN3O5S3 and molecular weight 402.92 g/mol. IUPAC: (2-chloro-4-nitrophenyl) 5-(thiadiazol-4-yl)thiophene-2-sulfonate.
Chemical Property Profile of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate
Property Insights of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate
The XLogP value of 3.5959 indicates that 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate. Following Lipinski's Rule of Five, 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate has 0 hydrogen bond donor(s) and 9 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 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate?
The CAS number of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate is 338400-22-9.
What is the molecular formula of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate?
The molecular formula of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate is C12H6ClN3O5S3.
What is the molecular weight of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate?
The molecular weight of 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate is 402.92 g/mol.
Where can I buy 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate?
You can request a quote for 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-nitrophenyl 5-(1,2,3-thiadiazol-4-yl)-2-thiophenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.