ChemDiv1_007733
TL;DR: ChemDiv1_007733 (CAS 376605-67-3) is a chemical compound with molecular formula C18H14BrF3N2O3 and molecular weight 442.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
Also Known As: ChemDiv1_007733, BIM-0033942.P001, [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-methoxyphenyl)methanone, [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone, (3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
| Molecular Formula | C18H14BrF3N2O3 |
|---|---|
| Molecular Weight | 442.01 g/mol |
| LogP | 3.9588 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.01398 |
| Heavy Atoms | 27 |
| Complexity | 882.22003 |
Chemical Identifiers
| CAS Number | 376605-67-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(F)(F)F)O |
Product Overview
ChemDiv1_007733 (CAS 376605-67-3), with molecular formula C18H14BrF3N2O3 and molecular weight 442.01 g/mol. IUPAC: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_007733
Property Insights of ChemDiv1_007733
The XLogP value of 3.9588 indicates that ChemDiv1_007733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007733. Following Lipinski's Rule of Five, ChemDiv1_007733 has 1 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_007733?
The CAS number of ChemDiv1_007733 is 376605-67-3.
What is the molecular formula of ChemDiv1_007733?
The molecular formula of ChemDiv1_007733 is C18H14BrF3N2O3.
What is the molecular weight of ChemDiv1_007733?
The molecular weight of ChemDiv1_007733 is 442.01 g/mol.
Where can I buy ChemDiv1_007733?
You can request a quote for ChemDiv1_007733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007733?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.