溴乙那班
TL;DR: 溴乙那班 (CAS 288104-79-0) is a chemical compound with molecular formula C23H23BrCl2N4O and molecular weight 520.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴乙那班
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
Also Known As: Surinabant, Surinabant [INN], surinabantum, Tox21_300239, 5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C23H23BrCl2N4O |
|---|---|
| Molecular Weight | 520.04 g/mol |
| LogP | 6.3017 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.0432 |
| Heavy Atoms | 31 |
| Complexity | 1091.701 |
Chemical Identifiers
| CAS Number | 288104-79-0 |
|---|---|
| SMILES | CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br |
Product Overview
溴乙那班 (CAS 288104-79-0), with molecular formula C23H23BrCl2N4O and molecular weight 520.04 g/mol. IUPAC: 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide.
Chemical Property Profile of 溴乙那班
Property Insights of 溴乙那班
The XLogP value of 6.3017 indicates that 溴乙那班 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.16 Ų, 溴乙那班 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴乙那班 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴乙那班?
The CAS number of 溴乙那班 is 288104-79-0.
What is the molecular formula of 溴乙那班?
The molecular formula of 溴乙那班 is C23H23BrCl2N4O.
What is the molecular weight of 溴乙那班?
The molecular weight of 溴乙那班 is 520.04 g/mol.
Where can I buy 溴乙那班?
You can request a quote for 溴乙那班 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴乙那班?
Yes, KEHONG BIO provides custom synthesis services for 溴乙那班 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.