6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-
TL;DR: 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- (CAS 81566-92-9) is a chemical compound with molecular formula C15H9NOS and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methyl-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
Also Known As: methyl[?]one, 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-, 3-Methyl-6H-anthra(9,1-cd)isothiazol-6-one, 6,7-Dimethoxy-4-methylmercapto-cinnolin, 3-methyl-anthra[9,1-cd]isothiazol-6-one
| Molecular Formula | C15H9NOS |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.04048 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 81566-92-9 |
|---|---|
| SMILES | CC1=C2C3=C(C=C1)C(=O)C4=CC=CC=C4C3=NS2 |
| InChIKey | OHUNLYWPXFRLJI-UHFFFAOYSA-N |
Product Overview
6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- (CAS 81566-92-9), with molecular formula C15H9NOS and molecular weight 251.04 g/mol. IUPAC: 12-methyl-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.
Chemical Property Profile of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-
Property Insights of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-
The XLogP value of 3.9 indicates that 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- has 0 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 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-?
The CAS number of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- is 81566-92-9.
What is the molecular formula of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-?
The molecular formula of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- is C15H9NOS.
What is the molecular weight of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-?
The molecular weight of 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- is 251.04 g/mol.
Where can I buy 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-?
You can request a quote for 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Anthra(9,1-cd)isothiazol-6-one, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.