Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-
TL;DR: Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- (CAS 31231-19-3) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazole
Also Known As: Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-, 5-nitro-2-(2-pyridyl)-2,3-dihydro-1,3-benzothiazole, 5-nitro-2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazole
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.2062 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 603.5264 |
Chemical Identifiers
| CAS Number | 31231-19-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2NC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- (CAS 31231-19-3), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 5-nitro-2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-
Property Insights of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-
The XLogP value of 3.2062 indicates that Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- has 1 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, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-?
The CAS number of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- is 31231-19-3.
What is the molecular formula of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-?
The molecular formula of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- is C12H9N3O2S.
What is the molecular weight of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-?
The molecular weight of Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- is 259.04 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-?
You can request a quote for Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-5-nitro-2-(2-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.