RefChem:1058768
TL;DR: RefChem:1058768 (CAS 67883-91-4) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one;1-methylpiperazine
Also Known As: 2(5H)-Furanone, 3-hydroxy-4-(1-oxo-3-(2-thienyl)-2-propenyl)-, compd. with methylpiperazine (1:1), 4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one; 1-methylpiperazine, RefChem:1058768
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 1.2207 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 601.60626 |
Chemical Identifiers
| CAS Number | 67883-91-4 |
|---|---|
| SMILES | CN1CCNCC1.C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CS2 |
Product Overview
RefChem:1058768 (CAS 67883-91-4), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: 4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one;1-methylpiperazine.
Chemical Property Profile of RefChem:1058768
Property Insights of RefChem:1058768
The XLogP value of 1.2207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058768. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058768. Following Lipinski's Rule of Five, RefChem:1058768 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:1058768?
The CAS number of RefChem:1058768 is 67883-91-4.
What is the molecular formula of RefChem:1058768?
The molecular formula of RefChem:1058768 is C16H20N2O4S.
What is the molecular weight of RefChem:1058768?
The molecular weight of RefChem:1058768 is 336.11 g/mol.
Where can I buy RefChem:1058768?
You can request a quote for RefChem:1058768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058768?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.