RefChem:371753
TL;DR: RefChem:371753 (CAS 4664-27-1) is a chemical compound with molecular formula C20H30ClN3O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R)-1-(4-ethoxyphenyl)-4-(piperazine-1-carbonyl)-5-propylpyrrolidin-2-one;hydrochloride
Also Known As: Piperazine, 1-((1-(4-ethoxyphenyl)-5-oxo-2-propyl-3-pyrrolidinyl)carbonyl)-, hydrochloride, cis-, cis-p-Ethoxyphenyl-1 oxo-2 piperazinocarbonyl-4 propyl-5 pyrrolidine chlorhydrate [French], (4r,5r)-1-(4-ethoxyphenyl)-4-(piperazin-1-ylcarbonyl)-5-propylpyrrolidin-2-one hydrochloride(1:1), cis-p-Ethoxyphenyl-1 oxo-2 piperazinocarbonyl-4 propyl-5 pyrrolidine chlorhydrate, 2-Propanol,3-[3,5-bis(1,1-dimethylethyl)phenoxy]-1,1,1-trifluoro
| Molecular Formula | C20H30ClN3O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 2.4605 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.19757 |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 4664-27-1 |
|---|---|
| SMILES | CCC[C@@H]1[C@@H](CC(=O)N1C2=CC=C(C=C2)OCC)C(=O)N3CCNCC3.Cl |
| InChIKey | KWOYMTNDMWWXTD-JAXOOIEVSA-N |
Product Overview
RefChem:371753 (CAS 4664-27-1), with molecular formula C20H30ClN3O3 and molecular weight 395.20 g/mol. IUPAC: (4R,5R)-1-(4-ethoxyphenyl)-4-(piperazine-1-carbonyl)-5-propylpyrrolidin-2-one;hydrochloride.
Chemical Property Profile of RefChem:371753
Property Insights of RefChem:371753
The XLogP value of 2.4605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371753. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371753. Following Lipinski's Rule of Five, RefChem:371753 has 2 hydrogen bond donor(s) and 4 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:371753?
The CAS number of RefChem:371753 is 4664-27-1.
What is the molecular formula of RefChem:371753?
The molecular formula of RefChem:371753 is C20H30ClN3O3.
What is the molecular weight of RefChem:371753?
The molecular weight of RefChem:371753 is 395.20 g/mol.
Where can I buy RefChem:371753?
You can request a quote for RefChem:371753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.