3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide
TL;DR: 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide (CAS 501107-29-5) is a chemical compound with molecular formula C18H17BrN2O and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide
Also Known As: 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide, AN-329/41435145, [4-(tert-butyl)-3-bromophenyl]-N-(4-cyanophenyl)carboxamide
| Molecular Formula | C18H17BrN2O |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 4.87058 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.05243 |
| Heavy Atoms | 22 |
| Complexity | 737.16296 |
Chemical Identifiers
| CAS Number | 501107-29-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N)Br |
Product Overview
3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide (CAS 501107-29-5), with molecular formula C18H17BrN2O and molecular weight 356.05 g/mol. IUPAC: 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide.
Chemical Property Profile of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide
Property Insights of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide
The XLogP value of 4.87058 indicates that 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide 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 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide?
The CAS number of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide is 501107-29-5.
What is the molecular formula of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide?
The molecular formula of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide is C18H17BrN2O.
What is the molecular weight of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide?
The molecular weight of 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide is 356.05 g/mol.
Where can I buy 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide?
You can request a quote for 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-tert-butyl-N-(4-cyanophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.