ChemDiv1_003994
TL;DR: ChemDiv1_003994 (CAS 342383-76-0) is a chemical compound with molecular formula C25H24ClF4N5O2 and molecular weight 537.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Also Known As: ChemDiv1_003994, BIM-0003735.P001, AE-848/14137025, (3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanone, [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone
| Molecular Formula | C25H24ClF4N5O2 |
|---|---|
| Molecular Weight | 537.16 g/mol |
| LogP | 5.3069 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 537.15546 |
| Heavy Atoms | 37 |
| Complexity | 1271.9745 |
Chemical Identifiers
| CAS Number | 342383-76-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(N3C(=C(C(=N3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)Cl)N2)C(F)(F)F |
Product Overview
ChemDiv1_003994 (CAS 342383-76-0), with molecular formula C25H24ClF4N5O2 and molecular weight 537.16 g/mol. IUPAC: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of ChemDiv1_003994
Property Insights of ChemDiv1_003994
The XLogP value of 5.3069 indicates that ChemDiv1_003994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003994. Following Lipinski's Rule of Five, ChemDiv1_003994 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003994?
The CAS number of ChemDiv1_003994 is 342383-76-0.
What is the molecular formula of ChemDiv1_003994?
The molecular formula of ChemDiv1_003994 is C25H24ClF4N5O2.
What is the molecular weight of ChemDiv1_003994?
The molecular weight of ChemDiv1_003994 is 537.16 g/mol.
Where can I buy ChemDiv1_003994?
You can request a quote for ChemDiv1_003994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003994?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.