C17H13BrClFN2O
TL;DR: C17H13BrClFN2O (CAS 379252-87-6) is a chemical compound with molecular formula C17H13BrClFN2O and molecular weight 393.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
Also Known As: 1-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one, 1-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-chloroethanone, 1-[3-(4-bromophenyl)-5-(4-fluorophenyl)(2-pyrazolinyl)]-2-chloroethan-1-one, 1-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethanone, 1-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
| Molecular Formula | C17H13BrClFN2O |
|---|---|
| Molecular Weight | 393.99 g/mol |
| LogP | 4.5047 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.98837 |
| Heavy Atoms | 23 |
| Complexity | 746.1936 |
Chemical Identifiers
| CAS Number | 379252-87-6 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCl)C3=CC=C(C=C3)F |
Product Overview
C17H13BrClFN2O (CAS 379252-87-6), with molecular formula C17H13BrClFN2O and molecular weight 393.99 g/mol. IUPAC: 1-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone.
Chemical Property Profile of C17H13BrClFN2O
Property Insights of C17H13BrClFN2O
The XLogP value of 4.5047 indicates that C17H13BrClFN2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, C17H13BrClFN2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H13BrClFN2O has 0 hydrogen bond donor(s) and 2 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 C17H13BrClFN2O?
The CAS number of C17H13BrClFN2O is 379252-87-6.
What is the molecular formula of C17H13BrClFN2O?
The molecular formula of C17H13BrClFN2O is C17H13BrClFN2O.
What is the molecular weight of C17H13BrClFN2O?
The molecular weight of C17H13BrClFN2O is 393.99 g/mol.
Where can I buy C17H13BrClFN2O?
You can request a quote for C17H13BrClFN2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H13BrClFN2O?
Yes, KEHONG BIO provides custom synthesis services for C17H13BrClFN2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.