3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone
TL;DR: 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone (CAS 873856-80-5) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
Also Known As: 3-benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone, (3-(benzo[d]thiazol-2-yl)pyrazin-2-yl)(morpholino)methanone, [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl](morpholin-4-yl)methanone, [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.2257 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 824.91736 |
Chemical Identifiers
| CAS Number | 873856-80-5 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3 |
Product Overview
3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone (CAS 873856-80-5), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone
Property Insights of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone
The XLogP value of 2.2257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone. Following Lipinski's Rule of Five, 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone 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 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone?
The CAS number of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone is 873856-80-5.
What is the molecular formula of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone?
The molecular formula of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone is C16H14N4O2S.
What is the molecular weight of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone?
The molecular weight of 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone is 326.08 g/mol.
Where can I buy 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone?
You can request a quote for 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-ylpyrazin-2-yl morpholin-4-yl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.