RefChem:304855
TL;DR: RefChem:304855 (CAS 36371-60-5) is a chemical compound with molecular formula C34H39ClN4O3 and molecular weight 586.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate;hydrochloride
Also Known As: 5-Pyrimidinecarboxylic acid, 4-ethoxy-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, ethyl ester, monohydrochloride, 5-pyrimidinecarboxylic acid, 4-ethoxy-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, ethylester, monohydrochloride, Ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate Hydrochloride, Ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate--hydrogen chloride (1/1), RefChem:304855
| Molecular Formula | C34H39ClN4O3 |
|---|---|
| Molecular Weight | 586.27 g/mol |
| LogP | 6.02 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 586.27106 |
| Heavy Atoms | 42 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 36371-60-5 |
|---|---|
| SMILES | CCOC1=NC(=NC=C1C(=O)OCC)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.Cl |
| InChIKey | OWUWCULIKLLRIP-UHFFFAOYSA-N |
Product Overview
RefChem:304855 (CAS 36371-60-5), with molecular formula C34H39ClN4O3 and molecular weight 586.27 g/mol. IUPAC: ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:304855
Property Insights of RefChem:304855
The XLogP value of 6.02 indicates that RefChem:304855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304855. Following Lipinski's Rule of Five, RefChem:304855 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:304855?
The CAS number of RefChem:304855 is 36371-60-5.
What is the molecular formula of RefChem:304855?
The molecular formula of RefChem:304855 is C34H39ClN4O3.
What is the molecular weight of RefChem:304855?
The molecular weight of RefChem:304855 is 586.27 g/mol.
Where can I buy RefChem:304855?
You can request a quote for RefChem:304855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304855?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.