ChemDiv1_019437
TL;DR: ChemDiv1_019437 (CAS 324031-72-3) is a chemical compound with molecular formula C31H31BrN4O4 and molecular weight 602.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: ChemDiv1_019437, BAS 00244511, 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(5-BROMO-3-ETHOXY-2-HYDROXYPHENYL)(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)METHYL]-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE
| Molecular Formula | C31H31BrN4O4 |
|---|---|
| Molecular Weight | 602.15 g/mol |
| LogP | 5.32924 |
| Topological Polar Surface Area | 83.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 602.1529 |
| Heavy Atoms | 40 |
| Complexity | 1710.8351 |
Chemical Identifiers
| CAS Number | 324031-72-3 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)Br |
Product Overview
ChemDiv1_019437 (CAS 324031-72-3), with molecular formula C31H31BrN4O4 and molecular weight 602.15 g/mol. IUPAC: 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_019437
Property Insights of ChemDiv1_019437
The XLogP value of 5.32924 indicates that ChemDiv1_019437 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019437. Following Lipinski's Rule of Five, ChemDiv1_019437 has 1 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_019437?
The CAS number of ChemDiv1_019437 is 324031-72-3.
What is the molecular formula of ChemDiv1_019437?
The molecular formula of ChemDiv1_019437 is C31H31BrN4O4.
What is the molecular weight of ChemDiv1_019437?
The molecular weight of ChemDiv1_019437 is 602.15 g/mol.
Where can I buy ChemDiv1_019437?
You can request a quote for ChemDiv1_019437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019437?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.