ChemDiv1_007435
TL;DR: ChemDiv1_007435 (CAS 432022-48-5) is a chemical compound with molecular formula C23H23BrN2O5 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
Also Known As: ChemDiv1_007435, AN-465/15152243, isopropyl 4-[4-(2-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate, PROPAN-2-YL 4-[(4Z)-4-[(2-BROMO-4,5-DIMETHOXYPHENYL)METHYLIDENE]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZOATE, propan-2-yl 4-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
| Molecular Formula | C23H23BrN2O5 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 4.8376 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.07904 |
| Heavy Atoms | 31 |
| Complexity | 1074.1196 |
Chemical Identifiers
| CAS Number | 432022-48-5 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2Br)OC)OC)C3=CC=C(C=C3)C(=O)OC(C)C |
Product Overview
ChemDiv1_007435 (CAS 432022-48-5), with molecular formula C23H23BrN2O5 and molecular weight 486.08 g/mol. IUPAC: propan-2-yl 4-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate.
Chemical Property Profile of ChemDiv1_007435
Property Insights of ChemDiv1_007435
The XLogP value of 4.8376 indicates that ChemDiv1_007435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007435. Following Lipinski's Rule of Five, ChemDiv1_007435 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007435?
The CAS number of ChemDiv1_007435 is 432022-48-5.
What is the molecular formula of ChemDiv1_007435?
The molecular formula of ChemDiv1_007435 is C23H23BrN2O5.
What is the molecular weight of ChemDiv1_007435?
The molecular weight of ChemDiv1_007435 is 486.08 g/mol.
Where can I buy ChemDiv1_007435?
You can request a quote for ChemDiv1_007435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007435?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.