Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate
TL;DR: Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate (CAS 125575-09-9) is a chemical compound with molecular formula C24H34N4O6S and molecular weight 506.22 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;methanesulfonic acid
Also Known As: Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate, Methanesulfonic acid--N'-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)-4-ethoxybenzene-1-carboximidamide (1/1), N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide; methanesulfonic acid, RefChem:324494
| Molecular Formula | C24H34N4O6S |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 1.8411 |
| Topological Polar Surface Area | 126.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.2199 |
| Heavy Atoms | 35 |
| Complexity | 1075.6932 |
Chemical Identifiers
| CAS Number | 125575-09-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=NCCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N.CS(=O)(=O)O |
Product Overview
Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate (CAS 125575-09-9), with molecular formula C24H34N4O6S and molecular weight 506.22 g/mol. IUPAC: N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-ethoxybenzenecarboximidamide;methanesulfonic acid.
Chemical Property Profile of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate
Property Insights of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate
The XLogP value of 1.8411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate. The TPSA of 126.92 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-, monomethanesulfonate. Following Lipinski's Rule of Five, Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-, monomethanesulfonate?
The CAS number of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate is 125575-09-9.
What is the molecular formula of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate?
The molecular formula of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate is C24H34N4O6S.
What is the molecular weight of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate?
The molecular weight of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate is 506.22 g/mol.
Where can I buy Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate?
You can request a quote for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate 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-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.