![N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/1005/1005040-02-7.webp)
N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
TL;DR: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CAS 1005040-02-7) is a chemical compound with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, N-benzothiazol-2-yl(2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carboxam ide, (2R)-N-(benzo[d]thiazol-2-yl)-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, N-(1,3-benzothiazol-2-yl)-3-bromo-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C18H19BrN2O2S |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.3937 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.03506 |
| Heavy Atoms | 24 |
| Complexity | 843.7808 |
Chemical Identifiers
| CAS Number | 1005040-02-7 |
|---|---|
| SMILES | CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=NC4=CC=CC=C4S3)C)C |
Product Overview
N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CAS 1005040-02-7), with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Property Insights of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 4.3937 indicates that N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide 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 N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is 1005040-02-7.
What is the molecular formula of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is C18H19BrN2O2S.
What is the molecular weight of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is 406.04 g/mol.
Where can I buy N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.