RefChem:330858
TL;DR: RefChem:330858 (CAS 112997-64-5) is a chemical compound with molecular formula C12H19N3O7S and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(hydroxymethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate
Also Known As: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with iminobis(methanol) (1:1), 4-((4-(Aminosulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with iminobis(methanol) (1:1), bis(hydroxymethyl)azanium; 4-oxo-4-(4-sulfamoylanilino)butanoate, Hydroxy-N-(hydroxymethyl)methanaminium 4-oxo-4-(4-sulfamoylanilino)butanoate, RefChem:330858
| Molecular Formula | C12H19N3O7S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | -3.75 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.09436 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 112997-64-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N.C([NH2+]CO)O |
| InChIKey | HFWSOQADSIAXNC-UHFFFAOYSA-N |
Product Overview
RefChem:330858 (CAS 112997-64-5), with molecular formula C12H19N3O7S and molecular weight 349.09 g/mol. IUPAC: bis(hydroxymethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate.
Chemical Property Profile of RefChem:330858
Property Insights of RefChem:330858
The XLogP value of -3.75 indicates that RefChem:330858 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:330858 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330858 has 5 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 RefChem:330858?
The CAS number of RefChem:330858 is 112997-64-5.
What is the molecular formula of RefChem:330858?
The molecular formula of RefChem:330858 is C12H19N3O7S.
What is the molecular weight of RefChem:330858?
The molecular weight of RefChem:330858 is 349.09 g/mol.
Where can I buy RefChem:330858?
You can request a quote for RefChem:330858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.