C36H36N6O6S2.2ClH.H2O
TL;DR: C36H36N6O6S2.2ClH.H2O (CAS 66799-65-3) is a chemical compound with molecular formula C36H38Cl2N6O6S2 and molecular weight 784.1671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-ylazanium dichloride
Also Known As: 1,4-Butanedisulfon-m-anisidide, 4',4''-bis(4-quinolylamino)-, dihydrochloride, hydrate, 4',4''-Bis(4-quinolylamino)-1,4-butanedisulfon-m-anisidide dihydrochloride hydrate, [2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-ylazanium dichloride
Technical Specifications
| Molecular Formula | C36H38Cl2N6O6S2 |
| Molecular Weight | 784.1671 g/mol |
| XLogP | -1.17 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 784.1671 Da |
| Heavy Atoms | 52 |
| Complexity | 1170.0 |
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)[NH2+]C3=CC=NC4=CC=CC=C43)OC)[NH2+]C5=CC=NC6=CC=CC=C65.[Cl-].[Cl-] |
| InChIKey | DDMPRQINGZESBM-UHFFFAOYSA-N |
Chemical Property Profile of C36H36N6O6S2.2ClH.H2O
Property Insights of C36H36N6O6S2.2ClH.H2O
The XLogP value of -1.17 indicates that C36H36N6O6S2.2ClH.H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting C36H36N6O6S2.2ClH.H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C36H36N6O6S2.2ClH.H2O has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C36H36N6O6S2.2ClH.H2O?
The CAS number of C36H36N6O6S2.2ClH.H2O is 66799-65-3.
What is the molecular formula of C36H36N6O6S2.2ClH.H2O?
The molecular formula of C36H36N6O6S2.2ClH.H2O is C36H38Cl2N6O6S2.
What is the molecular weight of C36H36N6O6S2.2ClH.H2O?
The molecular weight of C36H36N6O6S2.2ClH.H2O is 784.1671 g/mol.
Where can I buy C36H36N6O6S2.2ClH.H2O?
You can request a quote for C36H36N6O6S2.2ClH.H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C36H36N6O6S2.2ClH.H2O?
Yes, CoreyChem provides custom synthesis services for C36H36N6O6S2.2ClH.H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.