RefChem:330854
TL;DR: RefChem:330854 (CAS 112997-67-8) is a chemical compound with molecular formula C16H27N3O6S and molecular weight 389.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl(2-hydroxyethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate
Also Known As: diethyl(2-hydroxyethyl)azanium; 4-oxo-4-(4-sulfamoylanilino)butanoate, Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 2-(diethylamino)ethanol (1:1), N,N-Diethyl-2-hydroxyethan-1-aminium 4-oxo-4-(4-sulfamoylanilino)butanoate, BUTANOIC ACID, 4-((4-(AMINOSULFONYL)PHENYL)AMINO)-4-OXO-, compd. with 2-(DIETHYL, RefChem:330854
| Molecular Formula | C16H27N3O6S |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | -2.29 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.16205 |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 112997-67-8 |
|---|---|
| SMILES | CC[NH+](CC)CCO.C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N |
| InChIKey | JMOHGHFUPIQUHS-UHFFFAOYSA-N |
Product Overview
RefChem:330854 (CAS 112997-67-8), with molecular formula C16H27N3O6S and molecular weight 389.16 g/mol. IUPAC: diethyl(2-hydroxyethyl)azanium;4-oxo-4-(4-sulfamoylanilino)butanoate.
Chemical Property Profile of RefChem:330854
Property Insights of RefChem:330854
The XLogP value of -2.29 indicates that RefChem:330854 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:330854 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330854 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:330854?
The CAS number of RefChem:330854 is 112997-67-8.
What is the molecular formula of RefChem:330854?
The molecular formula of RefChem:330854 is C16H27N3O6S.
What is the molecular weight of RefChem:330854?
The molecular weight of RefChem:330854 is 389.16 g/mol.
Where can I buy RefChem:330854?
You can request a quote for RefChem:330854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.