2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one
TL;DR: 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one (CAS 488103-53-3) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one
Also Known As: ChemDiv2_001520, 2-benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one, BAS 06262472, 2-Benzyl-4-morpholin-4-yl-[1,2,5]thiadiazol-3-one, 2-benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3(2H)-one
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 488103-53-3 |
|---|---|
| SMILES | C1COCCN1C2=NSN(C2=O)CC3=CC=CC=C3 |
| InChIKey | WIPIYMLKWUSKKM-UHFFFAOYSA-N |
Product Overview
2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one (CAS 488103-53-3), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 2-benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one.
Chemical Property Profile of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one
Property Insights of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one. Following Lipinski's Rule of Five, 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one has 0 hydrogen bond donor(s) and 4 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-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one?
The CAS number of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one is 488103-53-3.
What is the molecular formula of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one?
The molecular formula of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one is C13H15N3O2S.
What is the molecular weight of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one?
The molecular weight of 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one is 277.09 g/mol.
Where can I buy 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one?
You can request a quote for 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-morpholin-4-yl-1,2,5-thiadiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.