RefChem:330847
TL;DR: RefChem:330847 (CAS 112997-68-9) is a chemical compound with molecular formula C17H25N3O6S and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;piperidin-1-ium
Also Known As: Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, compd. with piperidine (1:1), Succinanilic acid, 4'-(acetylsulfamoyl)-, compd. with piperidine, 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate; piperidin-1-ium, 4-((4-((Acetylamino)sulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with piperidine (1:1), Piperidin-1-ium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
| Molecular Formula | C17H25N3O6S |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1464 |
| Heavy Atoms | 27 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 112997-68-9 |
|---|---|
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C1CC[NH2+]CC1 |
| InChIKey | RJMZQNQKYMCPJN-UHFFFAOYSA-N |
Product Overview
RefChem:330847 (CAS 112997-68-9), with molecular formula C17H25N3O6S and molecular weight 399.15 g/mol. IUPAC: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;piperidin-1-ium.
Chemical Property Profile of RefChem:330847
Property Insights of RefChem:330847
The XLogP value of -1.29 indicates that RefChem:330847 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:330847 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330847 has 3 hydrogen bond donor(s) and 6 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 RefChem:330847?
The CAS number of RefChem:330847 is 112997-68-9.
What is the molecular formula of RefChem:330847?
The molecular formula of RefChem:330847 is C17H25N3O6S.
What is the molecular weight of RefChem:330847?
The molecular weight of RefChem:330847 is 399.15 g/mol.
Where can I buy RefChem:330847?
You can request a quote for RefChem:330847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330847?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.