RefChem:1094545
TL;DR: RefChem:1094545 (CAS 37151-51-2) is a chemical compound with molecular formula C22H29ClN4O4 and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrochloride
Also Known As: Penten-3-one, 5-(4-(2-pyrimidyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, Pyrimidine, 2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-, hydrochloride, Piperazine, 1-(2-pyrimidyl)-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride, (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one hydrochloride, 1-Penten-3-one, 5-[4-(2-pyrimidinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-, monohydrochloride
| Molecular Formula | C22H29ClN4O4 |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 2.7188 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.18774 |
| Heavy Atoms | 31 |
| Complexity | 846.06464 |
Chemical Identifiers
| CAS Number | 37151-51-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=NC=CC=N3.Cl |
Product Overview
RefChem:1094545 (CAS 37151-51-2), with molecular formula C22H29ClN4O4 and molecular weight 448.19 g/mol. IUPAC: (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrochloride.
Chemical Property Profile of RefChem:1094545
Property Insights of RefChem:1094545
The XLogP value of 2.7188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1094545. The TPSA of 77.02 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094545. Following Lipinski's Rule of Five, RefChem:1094545 has 0 hydrogen bond donor(s) and 8 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:1094545?
The CAS number of RefChem:1094545 is 37151-51-2.
What is the molecular formula of RefChem:1094545?
The molecular formula of RefChem:1094545 is C22H29ClN4O4.
What is the molecular weight of RefChem:1094545?
The molecular weight of RefChem:1094545 is 448.19 g/mol.
Where can I buy RefChem:1094545?
You can request a quote for RefChem:1094545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094545?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.