n-(2-Bromo-ethyl)-benzamide
TL;DR: n-(2-Bromo-ethyl)-benzamide (CAS 27110-61-8) is a chemical compound with molecular formula C9H10BrNO and molecular weight 226.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)benzamide
Also Known As: N-(2-bromoethyl)benzamide, n-(2-bromo-ethyl)-benzamide, Benzamide,N-(2-bromoethyl)-, NCIOpen2_003226, N-(2-Bromoethyl)-benzamide
| Molecular Formula | C9H10BrNO |
|---|---|
| Molecular Weight | 226.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.99458 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 27110-61-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCBr |
| InChIKey | WCTQETQDPVEMGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-(2-Bromo-ethyl)-benzamide (CAS 27110-61-8), with molecular formula C9H10BrNO and molecular weight 226.99 g/mol. IUPAC: N-(2-bromoethyl)benzamide.
Chemical Property Profile of n-(2-Bromo-ethyl)-benzamide
Property Insights of n-(2-Bromo-ethyl)-benzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Bromo-ethyl)-benzamide. With a topological polar surface area (TPSA) of 29.1 Ų, n-(2-Bromo-ethyl)-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Bromo-ethyl)-benzamide 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 n-(2-Bromo-ethyl)-benzamide?
The CAS number of n-(2-Bromo-ethyl)-benzamide is 27110-61-8.
What is the molecular formula of n-(2-Bromo-ethyl)-benzamide?
The molecular formula of n-(2-Bromo-ethyl)-benzamide is C9H10BrNO.
What is the molecular weight of n-(2-Bromo-ethyl)-benzamide?
The molecular weight of n-(2-Bromo-ethyl)-benzamide is 226.99 g/mol.
Where can I buy n-(2-Bromo-ethyl)-benzamide?
You can request a quote for n-(2-Bromo-ethyl)-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(2-Bromo-ethyl)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Bromo-ethyl)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.