Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride
TL;DR: Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride (CAS 125575-10-2) is a chemical compound with molecular formula C23H31ClN4O3 and molecular weight 446.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide;hydrochloride
Also Known As: Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride, N-(2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxybenzenecarboximidamide HCl, N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide hydrochloride, N'-(2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)-4-ethoxybenzene-1-carboximidamide--hydrogen chloride (1/1), N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide,hydrochloride
| Molecular Formula | C23H31ClN4O3 |
|---|---|
| Molecular Weight | 446.21 g/mol |
| LogP | 2.7589 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.20847 |
| Heavy Atoms | 31 |
| Complexity | 867.62537 |
Chemical Identifiers
| CAS Number | 125575-10-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=NCCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N.Cl |
Product Overview
Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride (CAS 125575-10-2), with molecular formula C23H31ClN4O3 and molecular weight 446.21 g/mol. IUPAC: N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide;hydrochloride.
Chemical Property Profile of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride
Property Insights of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride
The XLogP value of 2.7589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride. Following Lipinski's Rule of Five, Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride has 1 hydrogen bond donor(s) and 6 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 Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride?
The CAS number of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride is 125575-10-2.
What is the molecular formula of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride?
The molecular formula of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride is C23H31ClN4O3.
What is the molecular weight of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride?
The molecular weight of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride is 446.21 g/mol.
Where can I buy Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride?
You can request a quote for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.