Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-
TL;DR: Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- (CAS 30311-48-9) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole
Also Known As: Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-, 4,5,6,7-Tetrahydro-2-(2-(5-nitrofuryl)vinyl)benzothiazole, Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitro-2-furanyl)ethenyl)-, 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole, RefChem:1079360
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 3.6935 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 618.6091 |
Chemical Identifiers
| CAS Number | 30311-48-9 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)/C=C/C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- (CAS 30311-48-9), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-
Property Insights of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-
The XLogP value of 3.6935 indicates that Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-. Following Lipinski's Rule of Five, Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- has 0 hydrogen bond donor(s) and 5 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 Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-?
The CAS number of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- is 30311-48-9.
What is the molecular formula of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-?
The molecular formula of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- is C13H12N2O3S.
What is the molecular weight of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-?
The molecular weight of Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- is 276.06 g/mol.
Where can I buy Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-?
You can request a quote for Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.