RefChem:321804
TL;DR: RefChem:321804 (CAS 129011-02-5) is a chemical compound with molecular formula C22H31ClN4O7S2 and molecular weight 562.13226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxy-5-sulfamoylbenzamide;methanesulfonic acid
Also Known As: Benzamide, 5-(aminosulfonyl)-N-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-methoxy-, monomethanesulfonate, 5-(aminosulfonyl)-N-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}-2-methoxybenzamide, Methanesulfonic acid--N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-methoxy-5-sulfamoylbenzamide (1/1), N-[3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL]-2-METHOXY-5-SULFAMOYL-BENZAMIDE; METHANESULFONIC ACID, N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxy-5-sulfamoylbenzamide,methanesulfonic acid
Technical Specifications
| Molecular Formula | C22H31ClN4O7S2 |
| Molecular Weight | 562.13226 g/mol |
| XLogP | 1.4421 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.13226 Da |
| Heavy Atoms | 36 |
| Complexity | 774.0 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl.CS(=O)(=O)O |
| InChIKey | ORVQCUUJAYMSFS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:321804
Property Insights of RefChem:321804
The XLogP value of 1.4421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321804. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:321804 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:321804 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:321804?
The CAS number of RefChem:321804 is 129011-02-5.
What is the molecular formula of RefChem:321804?
The molecular formula of RefChem:321804 is C22H31ClN4O7S2.
What is the molecular weight of RefChem:321804?
The molecular weight of RefChem:321804 is 562.13226 g/mol.
Where can I buy RefChem:321804?
You can request a quote for RefChem:321804 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:321804?
Yes, CoreyChem provides custom synthesis services for RefChem:321804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.