1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one
TL;DR: 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one (CAS 80689-18-5) is a chemical compound with molecular formula C8H5NO3S and molecular weight 195.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one
Also Known As: 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one, 5,6-Methylendioxy-2(3H)-benzothiazolon, 5,6-Methylendioxy-2(3H)-benzothiazolon [German], 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one, 1,3-DIOXOLO[4,5-F]BENZOTHIAZOL-6(7H)-ONE
| Molecular Formula | C8H5NO3S |
|---|---|
| Molecular Weight | 195.00 g/mol |
| LogP | 1.3183 |
| Topological Polar Surface Area | 51.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.99901 |
| Heavy Atoms | 13 |
| Complexity | 483.65894 |
Chemical Identifiers
| CAS Number | 80689-18-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)NC(=O)S3 |
Product Overview
1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one (CAS 80689-18-5), with molecular formula C8H5NO3S and molecular weight 195.00 g/mol. IUPAC: 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one.
Chemical Property Profile of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one
Property Insights of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one
The XLogP value of 1.3183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one. With a topological polar surface area (TPSA) of 51.32 Ų, 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-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 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one?
The CAS number of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one is 80689-18-5.
What is the molecular formula of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one?
The molecular formula of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one is C8H5NO3S.
What is the molecular weight of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one?
The molecular weight of 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one is 195.00 g/mol.
Where can I buy 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one?
You can request a quote for 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-f)benzothiazol-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.