![3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one structure](/static/products/7182/7182-80-1.webp)
3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one
TL;DR: 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one (CAS 7182-80-1) is a chemical compound with molecular formula C15H7Br2NOS and molecular weight 406.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(dibromomethyl)-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: dibromomethyl[?]one, 3-(dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one, 3-(Dibromomethyl)-6H-anthra[9,1-cd]isothiazol-6-one, 6H-Anthra[9,1-cd]isothiazol-6-one, 3-(dibromomethyl)-, 1H-Isoindole-1,3(2H)-dione,5-chloro-2-(2,6-diethylphenyl)
| Molecular Formula | C15H7Br2NOS |
|---|---|
| Molecular Weight | 406.86 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.8615 |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 7182-80-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NSC4=C(C=CC(=C43)C2=O)C(Br)Br |
| InChIKey | TWOFOQVEGGJRHL-UHFFFAOYSA-N |
Product Overview
3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one (CAS 7182-80-1), with molecular formula C15H7Br2NOS and molecular weight 406.86 g/mol. IUPAC: 12-(dibromomethyl)-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 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one
Property Insights of 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one
The XLogP value of 4.9 indicates that 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one 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 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one?
The CAS number of 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one is 7182-80-1.
What is the molecular formula of 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one?
The molecular formula of 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one is C15H7Br2NOS.
What is the molecular weight of 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one?
The molecular weight of 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one is 406.86 g/mol.
Where can I buy 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one?
You can request a quote for 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dibromomethyl)-6h-anthra[9,1-cd][1,2]thiazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.