RefChem:326567
TL;DR: RefChem:326567 (CAS 73713-62-9) is a chemical compound with molecular formula C25H32N2O10S and molecular weight 552.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,5-dimethoxybenzoate;methanesulfonate
Also Known As: Benzoic acid, 2,5-dimethoxy-4-(4-piperonylpiperazin-1-yl-carbonyl)-, ethyl ester, methanesulfonate, Ethyl 2,5-dimethoxy-4-(4-piperonylpiperazin-1-ylcarbonyl)benzoate methanesulfonate, ETHYL4-[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZIN-4-IUM-1-CARBONYL]-2,5-DIMETHOXYBENZOATE; METHANESULFONATE, 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[4-(ethoxycarbonyl)-2,5-dimethoxybenzoyl]piperazin-1-ium methanesulfonate, Benzoic acid, 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]-2,5-dimethoxy-, ethyl ester, monomethanesulfonate
| Molecular Formula | C25H32N2O10S |
|---|---|
| Molecular Weight | 552.18 g/mol |
| LogP | 0.31 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.1778 |
| Heavy Atoms | 38 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 73713-62-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C(=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC.CS(=O)(=O)[O-] |
| InChIKey | WOQUDWYDVQVMCM-UHFFFAOYSA-N |
Product Overview
RefChem:326567 (CAS 73713-62-9), with molecular formula C25H32N2O10S and molecular weight 552.18 g/mol. IUPAC: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,5-dimethoxybenzoate;methanesulfonate.
Chemical Property Profile of RefChem:326567
Property Insights of RefChem:326567
The XLogP value of 0.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326567. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:326567 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326567 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326567?
The CAS number of RefChem:326567 is 73713-62-9.
What is the molecular formula of RefChem:326567?
The molecular formula of RefChem:326567 is C25H32N2O10S.
What is the molecular weight of RefChem:326567?
The molecular weight of RefChem:326567 is 552.18 g/mol.
Where can I buy RefChem:326567?
You can request a quote for RefChem:326567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.