Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-
TL;DR: Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- (CAS 31231-05-7) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole
Also Known As: 2-acetylpyridine benzothiazoline, 2-methyl-2-(2-pyridyl)benzothiazoline, Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-, 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole, 2-methyl-2-(2-pyridyl)-3H-1,3-benzothiazole
| Molecular Formula | C13H12N2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.4721 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.07211 |
| Heavy Atoms | 16 |
| Complexity | 485.35086 |
Chemical Identifiers
| CAS Number | 31231-05-7 |
|---|---|
| SMILES | CC1(NC2=CC=CC=C2S1)C3=CC=CC=N3 |
Product Overview
Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- (CAS 31231-05-7), with molecular formula C13H12N2S and molecular weight 228.07 g/mol. IUPAC: 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-
Property Insights of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-
The XLogP value of 3.4721 indicates that Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- has 1 hydrogen bond donor(s) and 3 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-2-methyl-2-(2-pyridinyl)-?
The CAS number of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- is 31231-05-7.
What is the molecular formula of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-?
The molecular formula of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- is C13H12N2S.
What is the molecular weight of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-?
The molecular weight of Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- is 228.07 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-?
You can request a quote for Benzothiazole, 2,3-dihydro-2-methyl-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-2-methyl-2-(2-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.