RefChem:1054081
TL;DR: RefChem:1054081 (CAS 4693-16-7) is a chemical compound with molecular formula C19H28ClN3O4 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-diethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: 1-(3,4-diethoxyphenyl)-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), (Diethoxy-3',4'phenyl)-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate [French], 1-((1-(3,4-Diethoxyphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)piperazine monohydrochloride, Piperazine, 1-((1-(3,4-diethoxyphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)-, monohydrochloride, (Diethoxy-3',4'phenyl)-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate
| Molecular Formula | C19H28ClN3O4 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 1.6905 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.17682 |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 4693-16-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3)OCC.Cl |
| InChIKey | SRUWFNNCEINABV-UHFFFAOYSA-N |
Product Overview
RefChem:1054081 (CAS 4693-16-7), with molecular formula C19H28ClN3O4 and molecular weight 397.18 g/mol. IUPAC: 1-(3,4-diethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of RefChem:1054081
Property Insights of RefChem:1054081
The XLogP value of 1.6905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054081. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054081. Following Lipinski's Rule of Five, RefChem:1054081 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:1054081?
The CAS number of RefChem:1054081 is 4693-16-7.
What is the molecular formula of RefChem:1054081?
The molecular formula of RefChem:1054081 is C19H28ClN3O4.
What is the molecular weight of RefChem:1054081?
The molecular weight of RefChem:1054081 is 397.18 g/mol.
Where can I buy RefChem:1054081?
You can request a quote for RefChem:1054081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054081?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.