RefChem:371943
TL;DR: RefChem:371943 (CAS 72141-49-2) is a chemical compound with molecular formula C27H25F3N6O3 and molecular weight 538.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
Also Known As: Piperazine, 1-(2,6-dimethoxy-4-pyrimidinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-, [4-(2,6-Dimethoxypyrimidin-4-yl)piperazin-1-yl](4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone, [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone, 1-(2,6-dimethoxy-4-pyrimidinyl)-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazine, BRN 6256442
| Molecular Formula | C27H25F3N6O3 |
|---|---|
| Molecular Weight | 538.19 g/mol |
| LogP | 4.7668 |
| Topological Polar Surface Area | 92.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.19403 |
| Heavy Atoms | 39 |
| Complexity | 1466.6256 |
Chemical Identifiers
| CAS Number | 72141-49-2 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F)OC |
Product Overview
RefChem:371943 (CAS 72141-49-2), with molecular formula C27H25F3N6O3 and molecular weight 538.19 g/mol. IUPAC: [4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone.
Chemical Property Profile of RefChem:371943
Property Insights of RefChem:371943
The XLogP value of 4.7668 indicates that RefChem:371943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.71 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371943. Following Lipinski's Rule of Five, RefChem:371943 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:371943?
The CAS number of RefChem:371943 is 72141-49-2.
What is the molecular formula of RefChem:371943?
The molecular formula of RefChem:371943 is C27H25F3N6O3.
What is the molecular weight of RefChem:371943?
The molecular weight of RefChem:371943 is 538.19 g/mol.
Where can I buy RefChem:371943?
You can request a quote for RefChem:371943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371943?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.