Sulphiride acetate
TL;DR: Sulphiride acetate (CAS 72306-56-0) is a chemical compound with molecular formula C17H27N3O6S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Also Known As: Sulphiride acetate, Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, monoacetate, acetic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide, Acetic acid--N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acid (1/1)
| Molecular Formula | C17H27N3O6S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 0.6476 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.16205 |
| Heavy Atoms | 27 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 72306-56-0 |
|---|---|
| SMILES | CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC.CC(=O)O |
| InChIKey | SABYKKVQQRZMQE-UHFFFAOYSA-N |
Product Overview
Sulphiride acetate (CAS 72306-56-0), with molecular formula C17H27N3O6S and molecular weight 401.16 g/mol. IUPAC: acetic acid;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide.
Chemical Property Profile of Sulphiride acetate
Property Insights of Sulphiride acetate
The XLogP value of 0.6476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulphiride acetate. The TPSA of 147.0 Ų indicates high polarity, suggesting Sulphiride acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulphiride acetate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulphiride acetate?
The CAS number of Sulphiride acetate is 72306-56-0.
What is the molecular formula of Sulphiride acetate?
The molecular formula of Sulphiride acetate is C17H27N3O6S.
What is the molecular weight of Sulphiride acetate?
The molecular weight of Sulphiride acetate is 401.16 g/mol.
Where can I buy Sulphiride acetate?
You can request a quote for Sulphiride acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulphiride acetate?
Yes, KEHONG BIO provides custom synthesis services for Sulphiride acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.