RefChem:1056428
TL;DR: RefChem:1056428 (CAS 26219-23-8) is a chemical compound with molecular formula C18H23ClN2O5 and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate;hydrochloride
Also Known As: 4-(3,4-Methylenedioxycinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride, 1-Piperazineacetic acid, 4-(3,4-methylenedioxycinnamoyl)-, ethyl ester, hydrochloride, 1-Piperazineacetic acid, 4-[3,4-(methylenedioxy)cinnamoyl]-, ethyl ester, monohydrochloride, ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate hydrochloride, RefChem:1056428
| Molecular Formula | C18H23ClN2O5 |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 1.5576 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.12955 |
| Heavy Atoms | 26 |
| Complexity | 671.54535 |
Chemical Identifiers
| CAS Number | 26219-23-8 |
|---|---|
| SMILES | CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3.Cl |
Product Overview
RefChem:1056428 (CAS 26219-23-8), with molecular formula C18H23ClN2O5 and molecular weight 382.13 g/mol. IUPAC: ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate;hydrochloride.
Chemical Property Profile of RefChem:1056428
Property Insights of RefChem:1056428
The XLogP value of 1.5576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056428. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056428. Following Lipinski's Rule of Five, RefChem:1056428 has 0 hydrogen bond donor(s) and 6 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:1056428?
The CAS number of RefChem:1056428 is 26219-23-8.
What is the molecular formula of RefChem:1056428?
The molecular formula of RefChem:1056428 is C18H23ClN2O5.
What is the molecular weight of RefChem:1056428?
The molecular weight of RefChem:1056428 is 382.13 g/mol.
Where can I buy RefChem:1056428?
You can request a quote for RefChem:1056428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.