RefChem:322085
TL;DR: RefChem:322085 (CAS 100243-25-2) is a chemical compound with molecular formula C30H46N8O9S2 and molecular weight 726.2829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoylbenzamide);hydrate
Also Known As: C15H21N4O4S.1/2H2O, Benzamide, N-(1,2-diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoyl-, hemihydrate, C15-H21-N4-O4-S.1/2H2-O, N-(1,2-Diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoylbenzamide hemihydrate, N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoylbenzamide
Technical Specifications
| Molecular Formula | C30H46N8O9S2 |
| Molecular Weight | 726.2829 g/mol |
| XLogP | -0.18 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 726.2829 Da |
| Heavy Atoms | 49 |
| Complexity | 556.0 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.O |
| InChIKey | LBBUZEPJUANZPK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:322085
Property Insights of RefChem:322085
The XLogP value of -0.18 indicates that RefChem:322085 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting RefChem:322085 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:322085 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:322085?
The CAS number of RefChem:322085 is 100243-25-2.
What is the molecular formula of RefChem:322085?
The molecular formula of RefChem:322085 is C30H46N8O9S2.
What is the molecular weight of RefChem:322085?
The molecular weight of RefChem:322085 is 726.2829 g/mol.
Where can I buy RefChem:322085?
You can request a quote for RefChem:322085 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:322085?
Yes, CoreyChem provides custom synthesis services for RefChem:322085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.