2-溴苯甲酰胺
TL;DR: 2-溴苯甲酰胺 (CAS 4001-73-4) is a chemical compound with molecular formula C7H6BrNO and molecular weight 198.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴苯甲酰胺
2-bromobenzamide
Also Known As: 2-Bromobenzamide, o-Bromobenzamide, Benzamide, 2-bromo-, Benzamide, o-bromo-, bromobenzamide
| Molecular Formula | C7H6BrNO |
|---|---|
| Molecular Weight | 198.96 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.96329 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 4001-73-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)Br |
| InChIKey | NHNAEZDWNCRWRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-溴苯甲酰胺 (CAS 4001-73-4), with molecular formula C7H6BrNO and molecular weight 198.96 g/mol. IUPAC: 2-bromobenzamide.
Chemical Property Profile of 2-溴苯甲酰胺
Property Insights of 2-溴苯甲酰胺
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-溴苯甲酰胺. With a topological polar surface area (TPSA) of 43.1 Ų, 2-溴苯甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴苯甲酰胺 has 1 hydrogen bond donor(s) and 1 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 2-溴苯甲酰胺?
The CAS number of 2-溴苯甲酰胺 is 4001-73-4.
What is the molecular formula of 2-溴苯甲酰胺?
The molecular formula of 2-溴苯甲酰胺 is C7H6BrNO.
What is the molecular weight of 2-溴苯甲酰胺?
The molecular weight of 2-溴苯甲酰胺 is 198.96 g/mol.
Where can I buy 2-溴苯甲酰胺?
You can request a quote for 2-溴苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-溴苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.