4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate
TL;DR: 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate (CAS 501104-17-2) is a chemical compound with molecular formula C13H12N4O5S and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate
Also Known As: 4-morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate, 1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 3-(4-nitrobenzoate), (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate, 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 4-nitrobenzoate, F1318-0115
| Molecular Formula | C13H12N4O5S |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 1.5021 |
| Topological Polar Surface Area | 107.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.05283 |
| Heavy Atoms | 23 |
| Complexity | 711.4099 |
Chemical Identifiers
| CAS Number | 501104-17-2 |
|---|---|
| SMILES | C1COCCN1C2=NSN=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate (CAS 501104-17-2), with molecular formula C13H12N4O5S and molecular weight 336.05 g/mol. IUPAC: (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate.
Chemical Property Profile of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate
Property Insights of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate
The XLogP value of 1.5021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate. The TPSA of 107.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate 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 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate?
The CAS number of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate is 501104-17-2.
What is the molecular formula of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate?
The molecular formula of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate is C13H12N4O5S.
What is the molecular weight of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate?
The molecular weight of 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate is 336.05 g/mol.
Where can I buy 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate?
You can request a quote for 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.