![(Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate structure](/static/products/865/865247-33-2.png)
(Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate
TL;DR: (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate (CAS 865247-33-2) is a chemical compound with molecular formula C16H15N3O7S and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate, F1366-2770, ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[(2Z)-2-[(5,6-dihydro-1,4-dioxine-2-carbonyl)imino]-6-nitro-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Ethyl 2-[2-(5,6-dihydro-1,4-dioxine-2-carbonylimino)-6-nitro-benzothiazol-3-yl]acetate
| Molecular Formula | C16H15N3O7S |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 1.4896 |
| Topological Polar Surface Area | 122.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.06308 |
| Heavy Atoms | 27 |
| Complexity | 1005.09784 |
Chemical Identifiers
| CAS Number | 865247-33-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3 |
Product Overview
(Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate (CAS 865247-33-2), with molecular formula C16H15N3O7S and molecular weight 393.06 g/mol. IUPAC: ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate
Property Insights of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate
The XLogP value of 1.4896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate. The TPSA of 122.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate 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 (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate?
The CAS number of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate is 865247-33-2.
What is the molecular formula of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate?
The molecular formula of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate is C16H15N3O7S.
What is the molecular weight of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate?
The molecular weight of (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate is 393.06 g/mol.
Where can I buy (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate?
You can request a quote for (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(2-((5,6-dihydro-1,4-dioxine-2-carbonyl)imino)-6-nitrobenzo[d]thiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.