![1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone structure](/static/products/2968/296801-07-5.webp)
1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
TL;DR: 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone (CAS 296801-07-5) is a chemical compound with molecular formula C13H13N3O4S2 and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Also Known As: BIM-0032760.P001, A0886/0041591, 1-morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone, 1-(morpholin-4-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone, 6-nitro-2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazole
| Molecular Formula | C13H13N3O4S2 |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.03476 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 296801-07-5 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | ILDOPLATXMGJFH-UHFFFAOYSA-N |
Product Overview
1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone (CAS 296801-07-5), with molecular formula C13H13N3O4S2 and molecular weight 339.03 g/mol. IUPAC: 1-morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Property Insights of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone. The TPSA of 142.0 Ų indicates high polarity, suggesting 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone has 0 hydrogen bond donor(s) and 7 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 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The CAS number of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone is 296801-07-5.
What is the molecular formula of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The molecular formula of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone is C13H13N3O4S2.
What is the molecular weight of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The molecular weight of 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone is 339.03 g/mol.
Where can I buy 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
You can request a quote for 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Morpholin-4-yl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.