2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole
TL;DR: 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole (CAS 31230-98-5) is a chemical compound with molecular formula C12H10N2OS and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole
Also Known As: Benzothiazole, 2,3-dihydro-2-(1-oxido-2-pyridinyl)-, 2-(1-oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole
| Molecular Formula | C12H10N2OS |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 2.5364 |
| Topological Polar Surface Area | 38.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.05139 |
| Heavy Atoms | 16 |
| Complexity | 504.93213 |
Chemical Identifiers
| CAS Number | 31230-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(S2)C3=CC=CC=[N+]3[O-] |
Product Overview
2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole (CAS 31230-98-5), with molecular formula C12H10N2OS and molecular weight 230.05 g/mol. IUPAC: 2-(1-oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole.
Chemical Property Profile of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole
Property Insights of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole
The XLogP value of 2.5364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole. With a topological polar surface area (TPSA) of 38.97 Ų, 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole 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 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole?
The CAS number of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole is 31230-98-5.
What is the molecular formula of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole?
The molecular formula of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole is C12H10N2OS.
What is the molecular weight of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole?
The molecular weight of 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole is 230.05 g/mol.
Where can I buy 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole?
You can request a quote for 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Oxidopyridin-1-ium-2-yl)-2,3-dihydro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.