Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-
TL;DR: Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)- (CAS 31253-45-9) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
Also Known As: Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-, 2-(4-pyridyl)-2,3-dihydro-1,3-benzothiazole, 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole, 2-(4-pyridinyl)-2,3-dihydro-1,3-benzothiazole
| Molecular Formula | C12H10N2S |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.298 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.05647 |
| Heavy Atoms | 15 |
| Complexity | 445.05817 |
Chemical Identifiers
| CAS Number | 31253-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(S2)C3=CC=NC=C3 |
Product Overview
Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)- (CAS 31253-45-9), with molecular formula C12H10N2S and molecular weight 214.06 g/mol. IUPAC: 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-
Property Insights of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-
The XLogP value of 3.298 indicates that Benzothiazole, 2,3-dihydro-2-(4-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-(4-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-2-(4-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-(4-pyridinyl)-?
The CAS number of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)- is 31253-45-9.
What is the molecular formula of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-?
The molecular formula of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)- is C12H10N2S.
What is the molecular weight of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-?
The molecular weight of Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)- is 214.06 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)-?
You can request a quote for Benzothiazole, 2,3-dihydro-2-(4-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-(4-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-2-(4-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.