C46H42N8O8S2.2ClH.2H2O
TL;DR: C46H42N8O8S2.2ClH.2H2O (CAS 66724-96-7) is a chemical compound with molecular formula C46H44Cl2N8O8S2 and molecular weight 970.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)azaniumyl]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]azanium dichloride
Also Known As: (4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)azaniumyl]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]azanium dichloride, 4-Acridinecarboxamide, 9,9'-tetramethylenedioxybis(4-methylsulfonamido-o-phenyleneimino)bis-, dihydrochloride, dihydrate, 4-ACRIDINECARBOXAMIDE, 9,9'-TETRAMETHYLENEDIOXYBIS(4-METHYLSULFONAMIDO-o-PHENYLE
| Molecular Formula | C46H44Cl2N8O8S2 |
|---|---|
| Molecular Weight | 970.21 g/mol |
| LogP | -0.67 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 970.2101 |
| Heavy Atoms | 66 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 66724-96-7 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC(=C(C=C1)OCCCCOC2=C(C=C(C=C2)NS(=O)(=O)C)[NH2+]C3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N)[NH2+]C6=C7C=CC=C(C7=NC8=CC=CC=C86)C(=O)N.[Cl-].[Cl-] |
| InChIKey | GBWUHYSWSKBKDW-UHFFFAOYSA-N |
Product Overview
C46H42N8O8S2.2ClH.2H2O (CAS 66724-96-7), with molecular formula C46H44Cl2N8O8S2 and molecular weight 970.21 g/mol. IUPAC: (4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)azaniumyl]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]azanium dichloride.
Chemical Property Profile of C46H42N8O8S2.2ClH.2H2O
Property Insights of C46H42N8O8S2.2ClH.2H2O
The XLogP value of -0.67 indicates that C46H42N8O8S2.2ClH.2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting C46H42N8O8S2.2ClH.2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C46H42N8O8S2.2ClH.2H2O 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 C46H42N8O8S2.2ClH.2H2O?
The CAS number of C46H42N8O8S2.2ClH.2H2O is 66724-96-7.
What is the molecular formula of C46H42N8O8S2.2ClH.2H2O?
The molecular formula of C46H42N8O8S2.2ClH.2H2O is C46H44Cl2N8O8S2.
What is the molecular weight of C46H42N8O8S2.2ClH.2H2O?
The molecular weight of C46H42N8O8S2.2ClH.2H2O is 970.21 g/mol.
Where can I buy C46H42N8O8S2.2ClH.2H2O?
You can request a quote for C46H42N8O8S2.2ClH.2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C46H42N8O8S2.2ClH.2H2O?
Yes, KEHONG BIO provides custom synthesis services for C46H42N8O8S2.2ClH.2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.