ChemDiv1_007555
TL;DR: ChemDiv1_007555 (CAS 330451-45-1) is a chemical compound with molecular formula C19H19BrN2O3 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone
Also Known As: ChemDiv1_007555, BAS 00687529, BIM-0009034.P001, [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone, 5-(4-bromophenyl)-3-ethyl-1-(2-hydroxy-3-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C19H19BrN2O3 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 3.92032 |
| Topological Polar Surface Area | 73.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.05792 |
| Heavy Atoms | 25 |
| Complexity | 848.24774 |
Chemical Identifiers
| CAS Number | 330451-45-1 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=CC(=C3O)C |
Product Overview
ChemDiv1_007555 (CAS 330451-45-1), with molecular formula C19H19BrN2O3 and molecular weight 402.06 g/mol. IUPAC: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone.
Chemical Property Profile of ChemDiv1_007555
Property Insights of ChemDiv1_007555
The XLogP value of 3.92032 indicates that ChemDiv1_007555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007555. Following Lipinski's Rule of Five, ChemDiv1_007555 has 2 hydrogen bond donor(s) and 4 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_007555?
The CAS number of ChemDiv1_007555 is 330451-45-1.
What is the molecular formula of ChemDiv1_007555?
The molecular formula of ChemDiv1_007555 is C19H19BrN2O3.
What is the molecular weight of ChemDiv1_007555?
The molecular weight of ChemDiv1_007555 is 402.06 g/mol.
Where can I buy ChemDiv1_007555?
You can request a quote for ChemDiv1_007555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.