RefChem:330845
TL;DR: RefChem:330845 (CAS 112997-70-3) is a chemical compound with molecular formula C14H21N3O7S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;2-hydroxyethylazanium
Also Known As: Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, compd. with 2-aminoethanol (1:1), Succinanilic acid, 4'-(acetylsulfamoyl)-, compd. with 2-aminoethanol (1:1), 4-((4-((Acetylamino)sulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with 2-aminoethanol (1:1), 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate; 2-hydroxyethylazanium, 2-Hydroxyethan-1-aminium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
| Molecular Formula | C14H21N3O7S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.11002 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 112997-70-3 |
|---|---|
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C(CO)[NH3+] |
| InChIKey | ZYOXGNXCBDWBMI-UHFFFAOYSA-N |
Product Overview
RefChem:330845 (CAS 112997-70-3), with molecular formula C14H21N3O7S and molecular weight 375.11 g/mol. IUPAC: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;2-hydroxyethylazanium.
Chemical Property Profile of RefChem:330845
Property Insights of RefChem:330845
The XLogP value of -2.8 indicates that RefChem:330845 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting RefChem:330845 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330845 has 4 hydrogen bond donor(s) and 7 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:330845?
The CAS number of RefChem:330845 is 112997-70-3.
What is the molecular formula of RefChem:330845?
The molecular formula of RefChem:330845 is C14H21N3O7S.
What is the molecular weight of RefChem:330845?
The molecular weight of RefChem:330845 is 375.11 g/mol.
Where can I buy RefChem:330845?
You can request a quote for RefChem:330845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330845?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.