4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine
TL;DR: 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine (CAS 588698-03-7) is a chemical compound with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine
Also Known As: ChemDiv2_005572, IDI1_004287, BAS 05209840, 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine, 4-(2,6-Dimethyl-morpholine-4-sulfonyl)-benzo[1,2,5]thiadiazole
| Molecular Formula | C12H15N3O3S2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 1.4892 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.05548 |
| Heavy Atoms | 20 |
| Complexity | 718.3777 |
Chemical Identifiers
| CAS Number | 588698-03-7 |
|---|---|
| SMILES | CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC3=NSN=C32 |
Product Overview
4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine (CAS 588698-03-7), with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol. IUPAC: 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine.
Chemical Property Profile of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine
Property Insights of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine
The XLogP value of 1.4892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine. The TPSA of 72.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine. Following Lipinski's Rule of Five, 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine 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 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine?
The CAS number of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine is 588698-03-7.
What is the molecular formula of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine?
The molecular formula of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine is C12H15N3O3S2.
What is the molecular weight of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine?
The molecular weight of 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine is 313.06 g/mol.
Where can I buy 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine?
You can request a quote for 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-2,6-dimethylmorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.