A2139/0089822
TL;DR: A2139/0089822 (CAS 309287-44-3) is a chemical compound with molecular formula C22H17BrFN3O and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-3-(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
Also Known As: A2139/0089822, 3-(4-bromophenyl)-5-(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide, 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
| Molecular Formula | C22H17BrFN3O |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 5.9714 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0539 |
| Heavy Atoms | 28 |
| Complexity | 1004.21655 |
Chemical Identifiers
| CAS Number | 309287-44-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F |
Product Overview
A2139/0089822 (CAS 309287-44-3), with molecular formula C22H17BrFN3O and molecular weight 437.05 g/mol. IUPAC: 5-(4-bromophenyl)-3-(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.
Chemical Property Profile of A2139/0089822
Property Insights of A2139/0089822
The XLogP value of 5.9714 indicates that A2139/0089822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, A2139/0089822 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2139/0089822 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2139/0089822?
The CAS number of A2139/0089822 is 309287-44-3.
What is the molecular formula of A2139/0089822?
The molecular formula of A2139/0089822 is C22H17BrFN3O.
What is the molecular weight of A2139/0089822?
The molecular weight of A2139/0089822 is 437.05 g/mol.
Where can I buy A2139/0089822?
You can request a quote for A2139/0089822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2139/0089822?
Yes, KEHONG BIO provides custom synthesis services for A2139/0089822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.