3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one
TL;DR: 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one (CAS 306966-70-1) is a chemical compound with molecular formula C15H16N2OS2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-ylsulfanyl)-2,2,4-trimethyl-1,3-dihydropyridin-6-one
Also Known As: 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one, 3-(benzo[d]thiazol-2-ylthio)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one, 5-(1,3-benzothiazol-2-ylsulfanyl)-2,2,4-trimethyl-1,3-dihydropyridin-6-one
| Molecular Formula | C15H16N2OS2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 3.9609 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0704 |
| Heavy Atoms | 20 |
| Complexity | 682.48676 |
Chemical Identifiers
| CAS Number | 306966-70-1 |
|---|---|
| SMILES | CC1=C(C(=O)NC(C1)(C)C)SC2=NC3=CC=CC=C3S2 |
Product Overview
3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one (CAS 306966-70-1), with molecular formula C15H16N2OS2 and molecular weight 304.07 g/mol. IUPAC: 5-(1,3-benzothiazol-2-ylsulfanyl)-2,2,4-trimethyl-1,3-dihydropyridin-6-one.
Chemical Property Profile of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one
Property Insights of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one
The XLogP value of 3.9609 indicates that 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one has 1 hydrogen bond donor(s) and 4 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 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one?
The CAS number of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one is 306966-70-1.
What is the molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one?
The molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one is C15H16N2OS2.
What is the molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one?
The molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one is 304.07 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one?
You can request a quote for 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-ylsulfanyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.