2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one
TL;DR: 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one (CAS 441771-44-4) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5,6-dihydro-4H-1,3-benzothiazol-7-one
Also Known As: 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one, 2-methoxy-5,6-dihydro-4H-1,3-benzothiazol-7-one, 7(4H)-Benzothiazolone, 5,6-dihydro-2-methoxy- (9CI)
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.6707 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 318.85782 |
Chemical Identifiers
| CAS Number | 441771-44-4 |
|---|---|
| SMILES | COC1=NC2=C(S1)C(=O)CCC2 |
Product Overview
2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one (CAS 441771-44-4), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 2-methoxy-5,6-dihydro-4H-1,3-benzothiazol-7-one.
Chemical Property Profile of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one
Property Insights of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one
The XLogP value of 1.6707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one has 0 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 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one?
The CAS number of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one is 441771-44-4.
What is the molecular formula of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one?
The molecular formula of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one is C8H9NO2S.
What is the molecular weight of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one?
The molecular weight of 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one is 183.04 g/mol.
Where can I buy 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one?
You can request a quote for 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5,6-dihydro-4H-benzothiazol-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.