RefChem:330859
TL;DR: RefChem:330859 (CAS 112997-62-3) is a chemical compound with molecular formula C14H21N3O6S and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-ium;4-oxo-4-(4-sulfamoylanilino)butanoate
Also Known As: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with morpholine (1:1), 4-((4-(Aminosulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with morpholine (1:1), Morpholin-4-ium 4-oxo-4-(4-sulfamoylanilino)butanoate, morpholin-4-ium; 4-oxo-4-(4-sulfamoylanilino)butanoate, RefChem:330859
| Molecular Formula | C14H21N3O6S |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | -2.62 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1151 |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 112997-62-3 |
|---|---|
| SMILES | C1COCC[NH2+]1.C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N |
| InChIKey | CIHWDSAHPNKHDV-UHFFFAOYSA-N |
Product Overview
RefChem:330859 (CAS 112997-62-3), with molecular formula C14H21N3O6S and molecular weight 359.12 g/mol. IUPAC: morpholin-4-ium;4-oxo-4-(4-sulfamoylanilino)butanoate.
Chemical Property Profile of RefChem:330859
Property Insights of RefChem:330859
The XLogP value of -2.62 indicates that RefChem:330859 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:330859 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330859 has 3 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:330859?
The CAS number of RefChem:330859 is 112997-62-3.
What is the molecular formula of RefChem:330859?
The molecular formula of RefChem:330859 is C14H21N3O6S.
What is the molecular weight of RefChem:330859?
The molecular weight of RefChem:330859 is 359.12 g/mol.
Where can I buy RefChem:330859?
You can request a quote for RefChem:330859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.