Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) (CAS 75231-25-3) 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(diaminomethylidene-[5-(3,4,5-trimethoxybenzoyl)oxypentyl]azanium);sulfate
Also Known As: C16H25N3O5.1/2H2O4S, 3,4,5-Trimethoxybenzoic acid 5-guanidinopentyl ester sulfate (2:1), C16-H25-N3-O5.1/2H2-O4-S, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 5-GUANIDINOPENTYL ESTER, SULFATE (2:1), diaminomethylidene-[5-(3,4,5-trimethoxybenzoyl)oxypentyl]azanium sulfate
| Molecular Formula | C32H52N6O14S |
|---|---|
| Molecular Weight | 776.33 g/mol |
| LogP | -2.55 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 776.32623 |
| Heavy Atoms | 53 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 75231-25-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCC[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCC[NH+]=C(N)N.[O-]S(=O)(=O)[O-] |
| InChIKey | UYGQTGRJPBNZRX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) (CAS 75231-25-3), with molecular formula C32H52N6O14S and molecular weight 776.33 g/mol. IUPAC: bis(diaminomethylidene-[5-(3,4,5-trimethoxybenzoyl)oxypentyl]azanium);sulfate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)
The XLogP value of -2.55 indicates that Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 329.0 Ų indicates high polarity, suggesting Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) 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 Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) is 75231-25-3.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) is C32H52N6O14S.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) is 776.33 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.