![N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide structure](/static/products/794/79484-58-5.png)
N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide
TL;DR: N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide (CAS 79484-58-5) is a chemical compound with molecular formula C18H20BBrN2O4 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-(4-bromophenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]-2-hydroxybenzamide
Also Known As: N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide, (4-Bromophenyl)[2,2'-{[(2-hydroxybenzamido)methyl]azanediyl-kappaN}di(ethan-1-olato-kappaO)]boron
| Molecular Formula | C18H20BBrN2O4 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 1.5653 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.06995 |
| Heavy Atoms | 26 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 79484-58-5 |
|---|---|
| SMILES | [B-]12([N+](CCO1)(CCO2)CNC(=O)C3=CC=CC=C3O)C4=CC=C(C=C4)Br |
| InChIKey | KJDLHCXWKRUPJD-UHFFFAOYSA-N |
Product Overview
N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide (CAS 79484-58-5), with molecular formula C18H20BBrN2O4 and molecular weight 418.07 g/mol. IUPAC: N-[[1-(4-bromophenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]-2-hydroxybenzamide.
Chemical Property Profile of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide
Property Insights of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide
The XLogP value of 1.5653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide. Following Lipinski's Rule of Five, N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide has 2 hydrogen bond donor(s) and 5 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-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide?
The CAS number of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide is 79484-58-5.
What is the molecular formula of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide?
The molecular formula of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide is C18H20BBrN2O4.
What is the molecular weight of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide?
The molecular weight of N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide is 418.07 g/mol.
Where can I buy N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide?
You can request a quote for N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(4-bromophenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]-2-hydroxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.