![6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide structure](/static/products/1005/1005094-04-1.webp)
6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide
TL;DR: 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide (CAS 1005094-04-1) is a chemical compound with molecular formula C17H21Br3N2OS and molecular weight 537.89246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide
Also Known As: 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide, AF-399/41823692, [4-(dibromomethyl)-6-bromo-5,5-dimethylbicyclo[2.1.1]hexyl]-N-(4,5,6,7-tetrahy drobenzothiazol-2-yl)carboxamide, 6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-4-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide
Technical Specifications
| Molecular Formula | C17H21Br3N2OS |
| Molecular Weight | 537.89246 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.89246 Da |
| Heavy Atoms | 24 |
| Complexity | 560.0 |
| SMILES | CC1(C2(CCC1(C2Br)C(=O)NC3=NC4=C(S3)CCCC4)C(Br)Br)C |
| InChIKey | CBGCKYQNLWIFBQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide
Property Insights of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide
The XLogP value of 5.4 indicates that 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide. Following Lipinski's Rule of Five, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide?
The CAS number of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide is 1005094-04-1.
What is the molecular formula of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide?
The molecular formula of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide is C17H21Br3N2OS.
What is the molecular weight of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide?
The molecular weight of 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide is 537.89246 g/mol.
Where can I buy 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide?
You can request a quote for 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide?
Yes, CoreyChem provides custom synthesis services for 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.1.1]hexane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.