A2139/0089823
TL;DR: A2139/0089823 (CAS 309287-45-4) is a chemical compound with molecular formula C22H16BrF2N3S and molecular weight 471.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide
Also Known As: A2139/0089823, 3-(4-bromophenyl)-N,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide, [3-(4-bromophenyl)-5-(4-fluorophenyl)(2-pyrazolinyl)][(4-fluorophenyl)amino]me thane-1-thione
| Molecular Formula | C22H16BrF2N3S |
|---|---|
| Molecular Weight | 471.02 g/mol |
| LogP | 6.2754 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.02164 |
| Heavy Atoms | 29 |
| Complexity | 1050.9253 |
Chemical Identifiers
| CAS Number | 309287-45-4 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
Product Overview
A2139/0089823 (CAS 309287-45-4), with molecular formula C22H16BrF2N3S and molecular weight 471.02 g/mol. IUPAC: 5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of A2139/0089823
Property Insights of A2139/0089823
The XLogP value of 6.2754 indicates that A2139/0089823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, A2139/0089823 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2139/0089823 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 A2139/0089823?
The CAS number of A2139/0089823 is 309287-45-4.
What is the molecular formula of A2139/0089823?
The molecular formula of A2139/0089823 is C22H16BrF2N3S.
What is the molecular weight of A2139/0089823?
The molecular weight of A2139/0089823 is 471.02 g/mol.
Where can I buy A2139/0089823?
You can request a quote for A2139/0089823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2139/0089823?
Yes, KEHONG BIO provides custom synthesis services for A2139/0089823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.