RefChem:372084
TL;DR: RefChem:372084 (CAS 80305-17-5) is a chemical compound with molecular formula C20H26ClN3O5 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
Also Known As: N-(3,4,5-Trimethoxybenzyl)-N'-(2-nitrophenyl)piperazine hydrochloride, Piperazine, 1-(2-nitrophenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride, 1-(2-Nitrophenyl)-4-((3,4,5-trimethoxyphenyl)methyl)piperazine monohydrochloride, N-(3,4,5-trimethoxy-benzyl)-N'-(2-nitrophenyl)-piperazine hydrochloride, 1-(2-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine hydrochloride
| Molecular Formula | C20H26ClN3O5 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 3.3646 |
| Topological Polar Surface Area | 77.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.1561 |
| Heavy Atoms | 29 |
| Complexity | 815.6115 |
Chemical Identifiers
| CAS Number | 80305-17-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-].Cl |
Product Overview
RefChem:372084 (CAS 80305-17-5), with molecular formula C20H26ClN3O5 and molecular weight 423.16 g/mol. IUPAC: 1-(2-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.
Chemical Property Profile of RefChem:372084
Property Insights of RefChem:372084
The XLogP value of 3.3646 indicates that RefChem:372084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372084. Following Lipinski's Rule of Five, RefChem:372084 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:372084?
The CAS number of RefChem:372084 is 80305-17-5.
What is the molecular formula of RefChem:372084?
The molecular formula of RefChem:372084 is C20H26ClN3O5.
What is the molecular weight of RefChem:372084?
The molecular weight of RefChem:372084 is 423.16 g/mol.
Where can I buy RefChem:372084?
You can request a quote for RefChem:372084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372084?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.