Benzothiazole, 6-nitro-2-(1-piperidinyl)-
TL;DR: Benzothiazole, 6-nitro-2-(1-piperidinyl)- (CAS 73761-38-3) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-piperidin-1-yl-1,3-benzothiazole
Also Known As: 6-nitro-2-piperidylbenzothiazole, Benzothiazole, 6-nitro-2-(1-piperidinyl)-, 6-nitro-2-piperidin-1-yl-1,3-benzothiazole, 6-nitro-2-(piperidin-1-yl)-1,3-benzothiazole, 6-nitro-2-piperidino-1,3-benzothiazole
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 73761-38-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | PLSZRVGIOIGRNA-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 6-nitro-2-(1-piperidinyl)- (CAS 73761-38-3), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 6-nitro-2-piperidin-1-yl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 6-nitro-2-(1-piperidinyl)-
Property Insights of Benzothiazole, 6-nitro-2-(1-piperidinyl)-
The XLogP value of 3.8 indicates that Benzothiazole, 6-nitro-2-(1-piperidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 6-nitro-2-(1-piperidinyl)-. Following Lipinski's Rule of Five, Benzothiazole, 6-nitro-2-(1-piperidinyl)- 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, 6-nitro-2-(1-piperidinyl)-?
The CAS number of Benzothiazole, 6-nitro-2-(1-piperidinyl)- is 73761-38-3.
What is the molecular formula of Benzothiazole, 6-nitro-2-(1-piperidinyl)-?
The molecular formula of Benzothiazole, 6-nitro-2-(1-piperidinyl)- is C12H13N3O2S.
What is the molecular weight of Benzothiazole, 6-nitro-2-(1-piperidinyl)-?
The molecular weight of Benzothiazole, 6-nitro-2-(1-piperidinyl)- is 263.07 g/mol.
Where can I buy Benzothiazole, 6-nitro-2-(1-piperidinyl)-?
You can request a quote for Benzothiazole, 6-nitro-2-(1-piperidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 6-nitro-2-(1-piperidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 6-nitro-2-(1-piperidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.