RefChem:1054448
TL;DR: RefChem:1054448 (CAS 4692-38-0) is a chemical compound with molecular formula C16H22ClN3O2 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: KST-1B4402, 1-((1-(4-Methylphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)piperazine monohydrochloride, 1-(4-methylphenyl)-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), p-Tolyl-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate [French], F1799-0555
| Molecular Formula | C16H22ClN3O2 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.20152 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.14005 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 4692-38-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3.Cl |
| InChIKey | XFPANFUOWRNJFT-UHFFFAOYSA-N |
Product Overview
RefChem:1054448 (CAS 4692-38-0), with molecular formula C16H22ClN3O2 and molecular weight 323.14 g/mol. IUPAC: 1-(4-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of RefChem:1054448
Property Insights of RefChem:1054448
The XLogP value of 1.20152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054448. With a topological polar surface area (TPSA) of 52.7 Ų, RefChem:1054448 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054448 has 2 hydrogen bond donor(s) and 3 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:1054448?
The CAS number of RefChem:1054448 is 4692-38-0.
What is the molecular formula of RefChem:1054448?
The molecular formula of RefChem:1054448 is C16H22ClN3O2.
What is the molecular weight of RefChem:1054448?
The molecular weight of RefChem:1054448 is 323.14 g/mol.
Where can I buy RefChem:1054448?
You can request a quote for RefChem:1054448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054448?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.