BAS 00655858
TL;DR: BAS 00655858 (CAS 331944-72-0) is a chemical compound with molecular formula C22H15Br2FN2O and molecular weight 499.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
Also Known As: BAS 00655858, (4-bromophenyl)(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone, 1-(4-bromobenzoyl)-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole, F0236-0010, (4-bromophenyl)-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
| Molecular Formula | C22H15Br2FN2O |
|---|---|
| Molecular Weight | 499.95 g/mol |
| LogP | 6.3422 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.95352 |
| Heavy Atoms | 28 |
| Complexity | 1031.6417 |
Chemical Identifiers
| CAS Number | 331944-72-0 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F |
Product Overview
BAS 00655858 (CAS 331944-72-0), with molecular formula C22H15Br2FN2O and molecular weight 499.95 g/mol. IUPAC: (4-bromophenyl)-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone.
Chemical Property Profile of BAS 00655858
Property Insights of BAS 00655858
The XLogP value of 6.3422 indicates that BAS 00655858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, BAS 00655858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00655858 has 0 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 BAS 00655858?
The CAS number of BAS 00655858 is 331944-72-0.
What is the molecular formula of BAS 00655858?
The molecular formula of BAS 00655858 is C22H15Br2FN2O.
What is the molecular weight of BAS 00655858?
The molecular weight of BAS 00655858 is 499.95 g/mol.
Where can I buy BAS 00655858?
You can request a quote for BAS 00655858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655858?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.