ChemDiv1_004162
TL;DR: ChemDiv1_004162 (CAS 351894-65-0) is a chemical compound with molecular formula C32H30F3N5O3 and molecular weight 589.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzhydrylpiperazin-1-yl)-[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Also Known As: ChemDiv1_004162, BIM-0002115.P001, (4-benzhydrylpiperazin-1-yl)(5-(benzo[d][1,3]dioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone, (4-benzhydrylpiperazin-1-yl)-[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone, [5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)piperazin-1-yl]methanone
| Molecular Formula | C32H30F3N5O3 |
|---|---|
| Molecular Weight | 589.23 g/mol |
| LogP | 5.8195 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 589.2301 |
| Heavy Atoms | 43 |
| Complexity | 1564.2397 |
Chemical Identifiers
| CAS Number | 351894-65-0 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C5NC(CC(N5N=C4)C(F)(F)F)C6=CC7=C(C=C6)OCO7 |
Product Overview
ChemDiv1_004162 (CAS 351894-65-0), with molecular formula C32H30F3N5O3 and molecular weight 589.23 g/mol. IUPAC: (4-benzhydrylpiperazin-1-yl)-[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone.
Chemical Property Profile of ChemDiv1_004162
Property Insights of ChemDiv1_004162
The XLogP value of 5.8195 indicates that ChemDiv1_004162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004162. Following Lipinski's Rule of Five, ChemDiv1_004162 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004162?
The CAS number of ChemDiv1_004162 is 351894-65-0.
What is the molecular formula of ChemDiv1_004162?
The molecular formula of ChemDiv1_004162 is C32H30F3N5O3.
What is the molecular weight of ChemDiv1_004162?
The molecular weight of ChemDiv1_004162 is 589.23 g/mol.
Where can I buy ChemDiv1_004162?
You can request a quote for ChemDiv1_004162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004162?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.