RefChem:371842
TL;DR: RefChem:371842 (CAS 80305-31-3) is a chemical compound with molecular formula C21H28Cl2N2O5 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
Also Known As: Piperazine, 1-(1,3-benzodioxol-5-yl)-4-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride, N-(3,4,5-Trimethoxybenzyl)-N'-(3,4-methylenedioxyphenyl)piperazine dihydrochloride, 1-(1,3-Benzodioxol-5-yl)-4-((3,4,5-trimethoxyphenyl)methyl)piperazine dihydrochloride, 1-(1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine dihydrochloride, 1-(2H-1,3-Benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--hydrogen chloride (1/2)
| Molecular Formula | C21H28Cl2N2O5 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 3.6069 |
| Topological Polar Surface Area | 52.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1375 |
| Heavy Atoms | 30 |
| Complexity | 819.1367 |
Chemical Identifiers
| CAS Number | 80305-31-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC4=C(C=C3)OCO4.Cl.Cl |
Product Overview
RefChem:371842 (CAS 80305-31-3), with molecular formula C21H28Cl2N2O5 and molecular weight 458.14 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride.
Chemical Property Profile of RefChem:371842
Property Insights of RefChem:371842
The XLogP value of 3.6069 indicates that RefChem:371842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.63 Ų, RefChem:371842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371842 has 0 hydrogen bond donor(s) and 7 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:371842?
The CAS number of RefChem:371842 is 80305-31-3.
What is the molecular formula of RefChem:371842?
The molecular formula of RefChem:371842 is C21H28Cl2N2O5.
What is the molecular weight of RefChem:371842?
The molecular weight of RefChem:371842 is 458.14 g/mol.
Where can I buy RefChem:371842?
You can request a quote for RefChem:371842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.