4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide
TL;DR: 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide (CAS 1417568-62-7) is a chemical compound with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboximidamide
Also Known As: BAS 11215895, 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboximidamide sulfate, 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboximidamide, 4-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carboxamidine, 1-piperazinecarboximidamide, 4-(1,3-benzodioxol-5-ylmethyl)-, sulfate (1:1)
| Molecular Formula | C13H18N4O2 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 0.42637 |
| Topological Polar Surface Area | 74.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.14297 |
| Heavy Atoms | 19 |
| Complexity | 483.53162 |
Chemical Identifiers
| CAS Number | 1417568-62-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=N)N |
Product Overview
4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide (CAS 1417568-62-7), with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboximidamide.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide
Property Insights of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide
The XLogP value of 0.42637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide. The TPSA of 74.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide has 2 hydrogen bond donor(s) and 4 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 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide is 1417568-62-7.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide is C13H18N4O2.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide is 262.14 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethyl)piperazine-1-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.