RefChem:233689
TL;DR: RefChem:233689 (CAS 40448-94-0) 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.
[4-(2-hydroxyethyl)piperazin-1-yl]-(8-methyl-2,3-dihydrofuro[2,3-g][1,4]benzodioxin-7-yl)methanone;hydrochloride
Also Known As: 1-Piperazineethanol, 4-((8-methylfuro(2,3-g)-1,4-benzodioxin-7-yl)carbonyl)-, hydrochloride, 4-((8-Methylfuro(2,3-g)-1,4-benzodioxin-7-yl)carbonyl)-1-piperazineethanol hydrochloride, [4-(2-hydroxyethyl)piperazin-1-yl](8-methyl-2,3-dihydrofuro[2,3-g][1,4]benzodioxin-7-yl)methanone hydrochloride(1:1), 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile, (4-(2-Hydroxyethyl)piperazin-1-yl)(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]benzofuran-7-yl)methanone hydrochloride
| Molecular Formula | C18H23ClN2O5 |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 1.68432 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.12955 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 40448-94-0 |
|---|---|
| SMILES | CC1=C(OC2=CC3=C(C=C12)OCCO3)C(=O)N4CCN(CC4)CCO.Cl |
| InChIKey | VEQAZYMILRGECZ-UHFFFAOYSA-N |
Product Overview
RefChem:233689 (CAS 40448-94-0), with molecular formula C18H23ClN2O5 and molecular weight 382.13 g/mol. IUPAC: [4-(2-hydroxyethyl)piperazin-1-yl]-(8-methyl-2,3-dihydrofuro[2,3-g][1,4]benzodioxin-7-yl)methanone;hydrochloride.
Chemical Property Profile of RefChem:233689
Property Insights of RefChem:233689
The XLogP value of 1.68432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233689. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233689. Following Lipinski's Rule of Five, RefChem:233689 has 2 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:233689?
The CAS number of RefChem:233689 is 40448-94-0.
What is the molecular formula of RefChem:233689?
The molecular formula of RefChem:233689 is C18H23ClN2O5.
What is the molecular weight of RefChem:233689?
The molecular weight of RefChem:233689 is 382.13 g/mol.
Where can I buy RefChem:233689?
You can request a quote for RefChem:233689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.