![2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole structure](/static/products/897/897474-07-6.png)
2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole
TL;DR: 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole (CAS 897474-07-6) is a chemical compound with molecular formula C16H16N4O5S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-dioxin-5-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
Also Known As: 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole, (5,6-dihydro-1,4-dioxin-2-yl)(4-(6-nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)methanone, 2,3-dihydro-1,4-dioxin-5-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone, (5,6-dihydro-1,4-dioxin-2-yl)[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone
| Molecular Formula | C16H16N4O5S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 1.7413 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.08414 |
| Heavy Atoms | 26 |
| Complexity | 887.8925 |
Chemical Identifiers
| CAS Number | 897474-07-6 |
|---|---|
| SMILES | C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=COCCO4 |
Product Overview
2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole (CAS 897474-07-6), with molecular formula C16H16N4O5S and molecular weight 376.08 g/mol. IUPAC: 2,3-dihydro-1,4-dioxin-5-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
Chemical Property Profile of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole
Property Insights of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole
The XLogP value of 1.7413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole has 0 hydrogen bond donor(s) and 8 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-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole?
The CAS number of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole is 897474-07-6.
What is the molecular formula of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole?
The molecular formula of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole is C16H16N4O5S.
What is the molecular weight of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole?
The molecular weight of 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole is 376.08 g/mol.
Where can I buy 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole?
You can request a quote for 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(5,6-dihydro-1,4-dioxine-2-carbonyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.