ChemDiv1_007264
TL;DR: ChemDiv1_007264 (CAS 313967-97-4) is a chemical compound with molecular formula C21H17BrN2O3 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
Also Known As: ChemDiv1_007264, BAS 00620019, (5-bromofuran-2-yl)(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone, 1-(5-bromofuran-2-carbonyl)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole, F0216-0013
| Molecular Formula | C21H17BrN2O3 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 5.0422 |
| Topological Polar Surface Area | 55.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.04224 |
| Heavy Atoms | 27 |
| Complexity | 980.176 |
Chemical Identifiers
| CAS Number | 313967-97-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=C(O3)Br)C4=CC=CC=C4 |
Product Overview
ChemDiv1_007264 (CAS 313967-97-4), with molecular formula C21H17BrN2O3 and molecular weight 424.04 g/mol. IUPAC: (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.
Chemical Property Profile of ChemDiv1_007264
Property Insights of ChemDiv1_007264
The XLogP value of 5.0422 indicates that ChemDiv1_007264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.04 Ų, ChemDiv1_007264 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007264 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007264?
The CAS number of ChemDiv1_007264 is 313967-97-4.
What is the molecular formula of ChemDiv1_007264?
The molecular formula of ChemDiv1_007264 is C21H17BrN2O3.
What is the molecular weight of ChemDiv1_007264?
The molecular weight of ChemDiv1_007264 is 424.04 g/mol.
Where can I buy ChemDiv1_007264?
You can request a quote for ChemDiv1_007264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007264?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.