BAS 00930714
TL;DR: BAS 00930714 (CAS 313267-86-6) is a chemical compound with molecular formula C22H15BrClFN2O and molecular weight 456.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(2-chlorophenyl)methanone
Also Known As: BAS 00930714, [5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(2-chlorophenyl)methanone, 3-(4-bromophenyl)-1-(2-chlorobenzoyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C22H15BrClFN2O |
|---|---|
| Molecular Weight | 456.00 g/mol |
| LogP | 6.2331 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.00403 |
| Heavy Atoms | 28 |
| Complexity | 1050.8917 |
Chemical Identifiers
| CAS Number | 313267-86-6 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)F |
Product Overview
BAS 00930714 (CAS 313267-86-6), with molecular formula C22H15BrClFN2O and molecular weight 456.00 g/mol. IUPAC: [5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(2-chlorophenyl)methanone.
Chemical Property Profile of BAS 00930714
Property Insights of BAS 00930714
The XLogP value of 6.2331 indicates that BAS 00930714 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 00930714 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00930714 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 00930714?
The CAS number of BAS 00930714 is 313267-86-6.
What is the molecular formula of BAS 00930714?
The molecular formula of BAS 00930714 is C22H15BrClFN2O.
What is the molecular weight of BAS 00930714?
The molecular weight of BAS 00930714 is 456.00 g/mol.
Where can I buy BAS 00930714?
You can request a quote for BAS 00930714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00930714?
Yes, KEHONG BIO provides custom synthesis services for BAS 00930714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.