RefChem:330855
TL;DR: RefChem:330855 (CAS 112997-66-7) is a chemical compound with molecular formula C14H23N3O6S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl(dimethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate
Also Known As: 2-hydroxyethyl(dimethyl)azanium; 4-oxo-4-(4-sulfamoylanilino)butanoate, Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 2-(dimethylamino)ethanol (1:1), 2-Hydroxy-N,N-dimethylethan-1-aminium 4-oxo-4-(4-sulfamoylanilino)butanoate, BUTANOIC ACID, 4-((4-(AMINOSULFONYL)PHENYL)AMINO)-4-OXO-, compd. with 2-(DIMETHY, RefChem:330855
| Molecular Formula | C14H23N3O6S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | -3.07 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.13077 |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 112997-66-7 |
|---|---|
| SMILES | C[NH+](C)CCO.C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N |
| InChIKey | UOOFZXVHSVBNBQ-UHFFFAOYSA-N |
Product Overview
RefChem:330855 (CAS 112997-66-7), with molecular formula C14H23N3O6S and molecular weight 361.13 g/mol. IUPAC: 2-hydroxyethyl(dimethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate.
Chemical Property Profile of RefChem:330855
Property Insights of RefChem:330855
The XLogP value of -3.07 indicates that RefChem:330855 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:330855 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330855 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:330855?
The CAS number of RefChem:330855 is 112997-66-7.
What is the molecular formula of RefChem:330855?
The molecular formula of RefChem:330855 is C14H23N3O6S.
What is the molecular weight of RefChem:330855?
The molecular weight of RefChem:330855 is 361.13 g/mol.
Where can I buy RefChem:330855?
You can request a quote for RefChem:330855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330855?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.