RefChem:1054000
TL;DR: RefChem:1054000 (CAS 46886-89-9) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: 1-((1- piperazinemonohydrochloride, EiM08-25263, 1-((1-(2-Methoxyphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)piperazine monohydrochloride, 1-(2-methoxyphenyl)-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), o-Methoxyphenyl-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate [French]
| Molecular Formula | C16H22ClN3O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 0.9017 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.13498 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 46886-89-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCNCC3.Cl |
| InChIKey | CYEUGXUDYUWLGL-UHFFFAOYSA-N |
Product Overview
RefChem:1054000 (CAS 46886-89-9), with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol. IUPAC: 1-(2-methoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of RefChem:1054000
Property Insights of RefChem:1054000
The XLogP value of 0.9017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054000. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054000. Following Lipinski's Rule of Five, RefChem:1054000 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:1054000?
The CAS number of RefChem:1054000 is 46886-89-9.
What is the molecular formula of RefChem:1054000?
The molecular formula of RefChem:1054000 is C16H22ClN3O3.
What is the molecular weight of RefChem:1054000?
The molecular weight of RefChem:1054000 is 339.13 g/mol.
Where can I buy RefChem:1054000?
You can request a quote for RefChem:1054000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.