双(三氟甲基磺酰)亚胺
TL;DR: 双(三氟甲基磺酰)亚胺 (CAS 82113-65-3) is a chemical compound with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(三氟甲基磺酰)亚胺
6-bromopyridine-2-carboxylic acid
Also Known As: 6-Bromopicolinic acid, 6-Bromo-2-pyridinecarboxylic acid, 6-bromopyridine-2-carboxylic acid, Not Available, 2-Pyridinecarboxylic acid, 6-bromo-
| Molecular Formula | C6H4BrNO2 |
|---|---|
| Molecular Weight | 200.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.94254 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 82113-65-3 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Br)C(=O)O |
| InChIKey | XURXQNUIGWHWHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(三氟甲基磺酰)亚胺 (CAS 82113-65-3), with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol. IUPAC: 6-bromopyridine-2-carboxylic acid.
Chemical Property Profile of 双(三氟甲基磺酰)亚胺
Property Insights of 双(三氟甲基磺酰)亚胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(三氟甲基磺酰)亚胺. With a topological polar surface area (TPSA) of 50.2 Ų, 双(三氟甲基磺酰)亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(三氟甲基磺酰)亚胺 has 1 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 双(三氟甲基磺酰)亚胺?
The CAS number of 双(三氟甲基磺酰)亚胺 is 82113-65-3.
What is the molecular formula of 双(三氟甲基磺酰)亚胺?
The molecular formula of 双(三氟甲基磺酰)亚胺 is C6H4BrNO2.
What is the molecular weight of 双(三氟甲基磺酰)亚胺?
The molecular weight of 双(三氟甲基磺酰)亚胺 is 200.94 g/mol.
Where can I buy 双(三氟甲基磺酰)亚胺?
You can request a quote for 双(三氟甲基磺酰)亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(三氟甲基磺酰)亚胺?
Yes, KEHONG BIO provides custom synthesis services for 双(三氟甲基磺酰)亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.