RefChem:237148
TL;DR: RefChem:237148 (CAS 99822-49-8) is a chemical compound with molecular formula C36H60N10O12S and molecular weight 856.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sulfuric acid;bis(2-[2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]ethyl]guanidine)
Also Known As: C18H29N5O4.1/2H2O4S, 1-(3,4,5-Trimethoxybenzoyl)-4-(2-guanidinoethyl)-perhydro-1,4-diazepine sulphate (2:1), C18-H29-N5-O4.1/2H2-O4-S, 1H-1,4-Diazepine, hexahydro-1-(2-((aminoiminomethyl)amino)ethyl)-4-(3,4,5-trimethoxybenzoyl)-,sulfate (2:1), sulfuric acid; 2-[2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]ethyl]guanidine
| Molecular Formula | C36H60N10O12S |
|---|---|
| Molecular Weight | 856.41 g/mol |
| LogP | -0.3854 |
| Topological Polar Surface Area | 305.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 856.4113 |
| Heavy Atoms | 59 |
| Complexity | 1651.7439 |
Chemical Identifiers
| CAS Number | 99822-49-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN(CC2)CCN=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN(CC2)CCN=C(N)N.OS(=O)(=O)O |
Product Overview
RefChem:237148 (CAS 99822-49-8), with molecular formula C36H60N10O12S and molecular weight 856.41 g/mol. IUPAC: sulfuric acid;bis(2-[2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]ethyl]guanidine).
Chemical Property Profile of RefChem:237148
Property Insights of RefChem:237148
The XLogP value of -0.3854 indicates that RefChem:237148 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 305.88 Ų indicates high polarity, suggesting RefChem:237148 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:237148 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 RefChem:237148?
The CAS number of RefChem:237148 is 99822-49-8.
What is the molecular formula of RefChem:237148?
The molecular formula of RefChem:237148 is C36H60N10O12S.
What is the molecular weight of RefChem:237148?
The molecular weight of RefChem:237148 is 856.41 g/mol.
Where can I buy RefChem:237148?
You can request a quote for RefChem:237148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237148?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.