RefChem:1079455
TL;DR: RefChem:1079455 (CAS 72004-06-9) is a chemical compound with molecular formula C25H33ClN2O5 and molecular weight 476.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(2-hydroxy-2-phenylpropyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride
Also Known As: Benzyl alcohol, alpha-methyl-alpha-(4-(3,4,5-trimethoxycinnamoyl)piperazinylmethyl)-, hydrochloride, hydrate, BENZYL ALCOHOL, alpha-METHYL-alpha-(4-(3,4,5-TRIMETHOXYCINNAMOYL)PIPERAZINYLMETH, (E)-1-[4-(2-hydroxy-2-phenylpropyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride, 1-Piperazineethanol, .alpha.-methyl-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-.alpha.-phenyl-, monohydrochloride, monohydrate, RefChem:1079455
| Molecular Formula | C25H33ClN2O5 |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | -1.6356 |
| Topological Polar Surface Area | 72.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.2078 |
| Heavy Atoms | 33 |
| Complexity | 916.0635 |
Chemical Identifiers
| CAS Number | 72004-06-9 |
|---|---|
| SMILES | CC(C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)O.[Cl-] |
Product Overview
RefChem:1079455 (CAS 72004-06-9), with molecular formula C25H33ClN2O5 and molecular weight 476.21 g/mol. IUPAC: (E)-1-[4-(2-hydroxy-2-phenylpropyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride.
Chemical Property Profile of RefChem:1079455
Property Insights of RefChem:1079455
The XLogP value of -1.6356 indicates that RefChem:1079455 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079455. Following Lipinski's Rule of Five, RefChem:1079455 has 2 hydrogen bond donor(s) and 5 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 RefChem:1079455?
The CAS number of RefChem:1079455 is 72004-06-9.
What is the molecular formula of RefChem:1079455?
The molecular formula of RefChem:1079455 is C25H33ClN2O5.
What is the molecular weight of RefChem:1079455?
The molecular weight of RefChem:1079455 is 476.21 g/mol.
Where can I buy RefChem:1079455?
You can request a quote for RefChem:1079455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079455?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.