RefChem:321676
TL;DR: RefChem:321676 (CAS 30194-65-1) is a chemical compound with molecular formula C21H29Cl3N4O3 and molecular weight 490.13052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]benzamide;trihydrochloride
Also Known As: Benzamide, 4-amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-, trihydrochloride, 4-Amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)benzamide trihydrochloride, 4-Amino-N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)benzamide--hydrogen chloride (1/3), 4-amino-N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]benzamide trihydrochloride
Technical Specifications
| Molecular Formula | C21H29Cl3N4O3 |
| Molecular Weight | 490.13052 g/mol |
| XLogP | 2.81 |
| Topological Polar Surface Area (TPSA) | 80.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.13052 Da |
| Heavy Atoms | 31 |
| Complexity | 504.0 |
| SMILES | C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)CC3=CC4=C(C=C3)OCO4.Cl.Cl.Cl |
| InChIKey | LAWLWAIMVOYTDU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:321676
Property Insights of RefChem:321676
The XLogP value of 2.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321676. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321676. Following Lipinski's Rule of Five, RefChem:321676 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:321676?
The CAS number of RefChem:321676 is 30194-65-1.
What is the molecular formula of RefChem:321676?
The molecular formula of RefChem:321676 is C21H29Cl3N4O3.
What is the molecular weight of RefChem:321676?
The molecular weight of RefChem:321676 is 490.13052 g/mol.
Where can I buy RefChem:321676?
You can request a quote for RefChem:321676 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:321676?
Yes, CoreyChem provides custom synthesis services for RefChem:321676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.