RefChem:330848
TL;DR: RefChem:330848 (CAS 112997-71-4) is a chemical compound with molecular formula C12H17N3O6S and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
Also Known As: Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt, azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate, Succinanilic acid, 4'-(acetylsulfamoyl)-, monoammonium salt, 4-((4-((Acetylamino)sulfonyl)phenyl)amino)-4-oxobutanoic acid monoammonium salt, Ammonium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
| Molecular Formula | C12H17N3O6S |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | -0.64 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0838 |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 112997-71-4 |
|---|---|
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].[NH4+] |
| InChIKey | PJTSBQRUAGJNLY-UHFFFAOYSA-N |
Product Overview
RefChem:330848 (CAS 112997-71-4), with molecular formula C12H17N3O6S and molecular weight 331.08 g/mol. IUPAC: azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate.
Chemical Property Profile of RefChem:330848
Property Insights of RefChem:330848
The XLogP value of -0.64 indicates that RefChem:330848 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:330848 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330848 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:330848?
The CAS number of RefChem:330848 is 112997-71-4.
What is the molecular formula of RefChem:330848?
The molecular formula of RefChem:330848 is C12H17N3O6S.
What is the molecular weight of RefChem:330848?
The molecular weight of RefChem:330848 is 331.08 g/mol.
Where can I buy RefChem:330848?
You can request a quote for RefChem:330848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330848?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.