Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)
TL;DR: Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) (CAS 23693-85-8) is a chemical compound with molecular formula C36H44N6O12S and molecular weight 784.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(N'-benzylcarbamimidoyl)-3,4,5-trimethoxybenzamide);sulfuric acid
Also Known As: 4,4'-imino-di-benzoic acid, N-(Benzylamidino)-3,4,5-trimethoxybenzamide sulfate (2:1), Benzamide,N- -3,4,5-trimethoxy-,sulfate, Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1), n-(n'-benzylcarbamimidoyl)-3,4,5-trimethoxybenzamide sulfate(2:1)
| Molecular Formula | C36H44N6O12S |
|---|---|
| Molecular Weight | 784.27 g/mol |
| LogP | 3.2614 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 784.2738 |
| Heavy Atoms | 55 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 23693-85-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N.COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N.OS(=O)(=O)O |
| InChIKey | RPFXSEKJAFWKIL-UHFFFAOYSA-N |
Product Overview
Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) (CAS 23693-85-8), with molecular formula C36H44N6O12S and molecular weight 784.27 g/mol. IUPAC: bis(N-(N'-benzylcarbamimidoyl)-3,4,5-trimethoxybenzamide);sulfuric acid.
Chemical Property Profile of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)
Property Insights of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)
The XLogP value of 3.2614 indicates that Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.0 Ų indicates high polarity, suggesting Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, 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 Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)?
The CAS number of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) is 23693-85-8.
What is the molecular formula of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)?
The molecular formula of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) is C36H44N6O12S.
What is the molecular weight of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)?
The molecular weight of Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) is 784.27 g/mol.
Where can I buy Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)?
You can request a quote for Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, 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 Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.