3-bromo-4-tert-butyl-N-phenylbenzamide
TL;DR: 3-bromo-4-tert-butyl-N-phenylbenzamide (CAS 501107-19-3) is a chemical compound with molecular formula C17H18BrNO and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-tert-butyl-N-phenylbenzamide
Also Known As: 3-bromo-4-tert-butyl-N-phenylbenzamide, [4-(tert-butyl)-3-bromophenyl]-N-benzamide, AN-329/41435131, AB01300782-01
| Molecular Formula | C17H18BrNO |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 4.9989 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0572 |
| Heavy Atoms | 20 |
| Complexity | 614.63226 |
Chemical Identifiers
| CAS Number | 501107-19-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)Br |
Product Overview
3-bromo-4-tert-butyl-N-phenylbenzamide (CAS 501107-19-3), with molecular formula C17H18BrNO and molecular weight 331.06 g/mol. IUPAC: 3-bromo-4-tert-butyl-N-phenylbenzamide.
Chemical Property Profile of 3-bromo-4-tert-butyl-N-phenylbenzamide
Property Insights of 3-bromo-4-tert-butyl-N-phenylbenzamide
The XLogP value of 4.9989 indicates that 3-bromo-4-tert-butyl-N-phenylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-bromo-4-tert-butyl-N-phenylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-4-tert-butyl-N-phenylbenzamide 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 3-bromo-4-tert-butyl-N-phenylbenzamide?
The CAS number of 3-bromo-4-tert-butyl-N-phenylbenzamide is 501107-19-3.
What is the molecular formula of 3-bromo-4-tert-butyl-N-phenylbenzamide?
The molecular formula of 3-bromo-4-tert-butyl-N-phenylbenzamide is C17H18BrNO.
What is the molecular weight of 3-bromo-4-tert-butyl-N-phenylbenzamide?
The molecular weight of 3-bromo-4-tert-butyl-N-phenylbenzamide is 331.06 g/mol.
Where can I buy 3-bromo-4-tert-butyl-N-phenylbenzamide?
You can request a quote for 3-bromo-4-tert-butyl-N-phenylbenzamide 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-phenylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-tert-butyl-N-phenylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.