BAS 00752586
TL;DR: BAS 00752586 (CAS 330662-86-7) is a chemical compound with molecular formula C23H18BrN3O4 and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone
Also Known As: BAS 00752586, 1-(4-bromobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole, F0257-0085, (4-bromophenyl)(3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone, (4-bromophenyl)-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone
| Molecular Formula | C23H18BrN3O4 |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 5.3574 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.04807 |
| Heavy Atoms | 31 |
| Complexity | 1160.199 |
Chemical Identifiers
| CAS Number | 330662-86-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Br |
Product Overview
BAS 00752586 (CAS 330662-86-7), with molecular formula C23H18BrN3O4 and molecular weight 479.05 g/mol. IUPAC: (4-bromophenyl)-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone.
Chemical Property Profile of BAS 00752586
Property Insights of BAS 00752586
The XLogP value of 5.3574 indicates that BAS 00752586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00752586. Following Lipinski's Rule of Five, BAS 00752586 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00752586?
The CAS number of BAS 00752586 is 330662-86-7.
What is the molecular formula of BAS 00752586?
The molecular formula of BAS 00752586 is C23H18BrN3O4.
What is the molecular weight of BAS 00752586?
The molecular weight of BAS 00752586 is 479.05 g/mol.
Where can I buy BAS 00752586?
You can request a quote for BAS 00752586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00752586?
Yes, KEHONG BIO provides custom synthesis services for BAS 00752586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.