RefChem:331377
TL;DR: RefChem:331377 (CAS 23771-12-2) is a chemical compound with molecular formula C24H30ClF3N2O4 and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride
Also Known As: Butyrophenone, 3',4',5'-trimethoxy-4-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-, monohydrochloride, 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride, BUTYROPHENONE, 3',4',5'-TRIMETHOXY-4-(4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-1-, RefChem:331377
| Molecular Formula | C24H30ClF3N2O4 |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.18463 |
| Heavy Atoms | 34 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 23771-12-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.[Cl-] |
| InChIKey | FUIIBZZLIMCDIH-UHFFFAOYSA-N |
Product Overview
RefChem:331377 (CAS 23771-12-2), with molecular formula C24H30ClF3N2O4 and molecular weight 502.18 g/mol. IUPAC: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:331377
Property Insights of RefChem:331377
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331377. With a topological polar surface area (TPSA) of 52.4 Ų, RefChem:331377 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331377 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331377?
The CAS number of RefChem:331377 is 23771-12-2.
What is the molecular formula of RefChem:331377?
The molecular formula of RefChem:331377 is C24H30ClF3N2O4.
What is the molecular weight of RefChem:331377?
The molecular weight of RefChem:331377 is 502.18 g/mol.
Where can I buy RefChem:331377?
You can request a quote for RefChem:331377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331377?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.