5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one
TL;DR: 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one (CAS 79891-57-9) is a chemical compound with molecular formula C10H14N2OS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one
Also Known As: BAS 00990500, 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one, 5,5-Dimethyl-2-(methylamino)-5,6-dihydrobenzo[d]thiazol-7(4H)-one, 2-methylamino-5,5-dimethyl-7-oxo-4,5-dihydro-6H-benzthiazole, 5,5-Dimethyl-2-methylamino-5,6-dihydro-4H-benzothiazol-7-one
| Molecular Formula | C10H14N2OS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.3399 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.08269 |
| Heavy Atoms | 14 |
| Complexity | 381.47375 |
Chemical Identifiers
| CAS Number | 79891-57-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC)C |
Product Overview
5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one (CAS 79891-57-9), with molecular formula C10H14N2OS and molecular weight 210.08 g/mol. IUPAC: 5,5-dimethyl-2-(methylamino)-4,6-dihydro-1,3-benzothiazol-7-one.
Chemical Property Profile of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one
Property Insights of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one
The XLogP value of 2.3399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one. With a topological polar surface area (TPSA) of 41.99 Ų, 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-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 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
The CAS number of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one is 79891-57-9.
What is the molecular formula of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
The molecular formula of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one is C10H14N2OS.
What is the molecular weight of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
The molecular weight of 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one is 210.08 g/mol.
Where can I buy 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
You can request a quote for 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-2-(methylamino)-5,6-dihydro-1,3-benzothiazol-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.