5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide
TL;DR: 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide (CAS 539807-85-7) is a chemical compound with molecular formula C15H16BrNO2 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide
Also Known As: 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide, 5-bromo-N-(2-furfuryl)-2,3,4-trimethyl-benzamide, 5-bromo-N-(2-furanylmethyl)-2,3,4-trimethylbenzamide, 5-bromanyl-N-(furan-2-ylmethyl)-2,3,4-trimethyl-benzamide
| Molecular Formula | C15H16BrNO2 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.03644 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 539807-85-7 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1C)Br)C(=O)NCC2=CC=CO2)C |
| InChIKey | HBIYEOOCMHOAON-UHFFFAOYSA-N |
Product Overview
5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide (CAS 539807-85-7), with molecular formula C15H16BrNO2 and molecular weight 321.04 g/mol. IUPAC: 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide.
Chemical Property Profile of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide
Property Insights of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide
The XLogP value of 3.6 indicates that 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide has 1 hydrogen bond donor(s) and 2 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 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide?
The CAS number of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide is 539807-85-7.
What is the molecular formula of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide?
The molecular formula of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide is C15H16BrNO2.
What is the molecular weight of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide?
The molecular weight of 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide is 321.04 g/mol.
Where can I buy 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide?
You can request a quote for 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(furan-2-ylmethyl)-2,3,4-trimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.