RefChem:233401
TL;DR: RefChem:233401 (CAS 80551-96-8) is a chemical compound with molecular formula C16H21ClN2O4 and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid
Also Known As: alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-4-(2-hydroxyethyl)-1-piperazineacetic acid, 1-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-(2-hydroxyethyl)-, 4-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid, RefChem:233401
| Molecular Formula | C16H21ClN2O4 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 0.9759 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.119 |
| Heavy Atoms | 23 |
| Complexity | 541.5162 |
Chemical Identifiers
| CAS Number | 80551-96-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
RefChem:233401 (CAS 80551-96-8), with molecular formula C16H21ClN2O4 and molecular weight 340.12 g/mol. IUPAC: 4-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid.
Chemical Property Profile of RefChem:233401
Property Insights of RefChem:233401
The XLogP value of 0.9759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233401. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233401. Following Lipinski's Rule of Five, RefChem:233401 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:233401?
The CAS number of RefChem:233401 is 80551-96-8.
What is the molecular formula of RefChem:233401?
The molecular formula of RefChem:233401 is C16H21ClN2O4.
What is the molecular weight of RefChem:233401?
The molecular weight of RefChem:233401 is 340.12 g/mol.
Where can I buy RefChem:233401?
You can request a quote for RefChem:233401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233401?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.