RefChem:1084532
TL;DR: RefChem:1084532 (CAS 56621-69-3) is a chemical compound with molecular formula C17H21NO8S and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;1-(4-methylsulfonylphenyl)-2-morpholin-4-ium-4-ylethanone
Also Known As: 1-(4-(Methylsulfonyl)phenyl)-2-(4-morpholinyl)ethanone maleate, Ethanone, 1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1), ETHANONE, 1-(4-(METHYLSULFONYL)PHENYL)-2-(4-MORPHOLINYL)-, (Z)-2-BUTENEDIOATE (1, (Z)-4-hydroxy-4-oxobut-2-enoate; 1-(4-methylsulfonylphenyl)-2-morpholin-4-ium-4-ylethanone, RefChem:1084532
| Molecular Formula | C17H21NO8S |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | -2.435 |
| Topological Polar Surface Area | 142.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.0988 |
| Heavy Atoms | 27 |
| Complexity | 776.72723 |
Chemical Identifiers
| CAS Number | 56621-69-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[NH+]2CCOCC2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1084532 (CAS 56621-69-3), with molecular formula C17H21NO8S and molecular weight 399.10 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;1-(4-methylsulfonylphenyl)-2-morpholin-4-ium-4-ylethanone.
Chemical Property Profile of RefChem:1084532
Property Insights of RefChem:1084532
The XLogP value of -2.435 indicates that RefChem:1084532 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.31 Ų indicates high polarity, suggesting RefChem:1084532 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084532 has 2 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:1084532?
The CAS number of RefChem:1084532 is 56621-69-3.
What is the molecular formula of RefChem:1084532?
The molecular formula of RefChem:1084532 is C17H21NO8S.
What is the molecular weight of RefChem:1084532?
The molecular weight of RefChem:1084532 is 399.10 g/mol.
Where can I buy RefChem:1084532?
You can request a quote for RefChem:1084532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084532?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.