RefChem:1056686
TL;DR: RefChem:1056686 (CAS 86580-11-2) is a chemical compound with molecular formula C28H37ClN2O8 and molecular weight 564.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxymethyl)-3-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;hydrochloride
Also Known As: (Trimethoxy-3,4,5 cinnamoyl)piperazine-3 (benzodioxanne-1,4-yl-5)oxymethyl-2 propanol-1 HCl, 1-Piperazinepropanol, beta-(((2,3-dihydro-1,4-benzodioxin-5-yl)oxy)methyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, monohydrochloride, (E)-1-[4-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxymethyl)-3-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one hydrochloride, RefChem:1056686
| Molecular Formula | C28H37ClN2O8 |
|---|---|
| Molecular Weight | 564.22 g/mol |
| LogP | 2.7503 |
| Topological Polar Surface Area | 99.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 564.2238 |
| Heavy Atoms | 39 |
| Complexity | 1095.7322 |
Chemical Identifiers
| CAS Number | 86580-11-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(CO)COC3=CC=CC4=C3OCCO4.Cl |
Product Overview
RefChem:1056686 (CAS 86580-11-2), with molecular formula C28H37ClN2O8 and molecular weight 564.22 g/mol. IUPAC: (E)-1-[4-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxymethyl)-3-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;hydrochloride.
Chemical Property Profile of RefChem:1056686
Property Insights of RefChem:1056686
The XLogP value of 2.7503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056686. The TPSA of 99.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056686. Following Lipinski's Rule of Five, RefChem:1056686 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056686?
The CAS number of RefChem:1056686 is 86580-11-2.
What is the molecular formula of RefChem:1056686?
The molecular formula of RefChem:1056686 is C28H37ClN2O8.
What is the molecular weight of RefChem:1056686?
The molecular weight of RefChem:1056686 is 564.22 g/mol.
Where can I buy RefChem:1056686?
You can request a quote for RefChem:1056686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.