RefChem:1095647
TL;DR: RefChem:1095647 (CAS 4692-99-3) is a chemical compound with molecular formula C19H28ClN3O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: KST-1B4403, 1-((1-(4-Butoxyphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)piperazine hydrochloride, 1-(4-butoxyphenyl)-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), p-Butoxyphenyl-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate [French], Piperazine, 1-((1-(4-butoxyphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)-, hydrochloride
| Molecular Formula | C19H28ClN3O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 2.072 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.18192 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 4692-99-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3.Cl |
| InChIKey | CFLXMBOALPCKEU-UHFFFAOYSA-N |
Product Overview
RefChem:1095647 (CAS 4692-99-3), with molecular formula C19H28ClN3O3 and molecular weight 381.18 g/mol. IUPAC: 1-(4-butoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of RefChem:1095647
Property Insights of RefChem:1095647
The XLogP value of 2.072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095647. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095647. Following Lipinski's Rule of Five, RefChem:1095647 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:1095647?
The CAS number of RefChem:1095647 is 4692-99-3.
What is the molecular formula of RefChem:1095647?
The molecular formula of RefChem:1095647 is C19H28ClN3O3.
What is the molecular weight of RefChem:1095647?
The molecular weight of RefChem:1095647 is 381.18 g/mol.
Where can I buy RefChem:1095647?
You can request a quote for RefChem:1095647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095647?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.