Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)
TL;DR: Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) (CAS 75231-28-6) is a chemical compound with molecular formula C32H52N6O14S and molecular weight 776.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([amino-[4-(3,4,5-trimethoxybenzoyl)oxybutylamino]methylidene]-methylazanium);sulfate
Also Known As: 3,4,5-Trimethoxybenzoic acid 4-(3-methylguanidino)butyl ester sulfate (2:1), C16-H25-N3-O5.1/2H2-O4-S, [amino-[4-(3,4,5-trimethoxybenzoyl)oxybutylamino]methylidene]-methylazanium sulfate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-(3-METHYLGUANIDINO)BUTYL ESTER, SULFATE (2:1), (E)-[amino-[4-(3,4,5-trimethoxybenzoyl)oxybutylamino]methylidene]-methylazanium sulfate
| Molecular Formula | C32H52N6O14S |
|---|---|
| Molecular Weight | 776.33 g/mol |
| LogP | -2.81 |
| Topological Polar Surface Area | 301.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 776.32623 |
| Heavy Atoms | 53 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 75231-28-6 |
|---|---|
| SMILES | C[NH+]=C(N)NCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C[NH+]=C(N)NCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[O-]S(=O)(=O)[O-] |
| InChIKey | LPBHKXCGDHGZSA-UHFFFAOYSA-N |
Product Overview
Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) (CAS 75231-28-6), with molecular formula C32H52N6O14S and molecular weight 776.33 g/mol. IUPAC: bis([amino-[4-(3,4,5-trimethoxybenzoyl)oxybutylamino]methylidene]-methylazanium);sulfate.
Chemical Property Profile of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)
Property Insights of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)
The XLogP value of -2.81 indicates that Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 301.0 Ų indicates high polarity, suggesting Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)?
The CAS number of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) is 75231-28-6.
What is the molecular formula of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)?
The molecular formula of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) is C32H52N6O14S.
What is the molecular weight of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)?
The molecular weight of Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) is 776.33 g/mol.
Where can I buy Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)?
You can request a quote for Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--4-(N'-methylcarbamimidamido)butyl 3,4,5-trimethoxybenzoate (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.