A3951/0168312
TL;DR: A3951/0168312 (CAS 889956-08-5) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-yl-2H-pyrrol-5-one
Also Known As: A3951/0168312, 2H-Pyrrol-2-one, 4-acetyl-1,5-dihydro-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(2-thienyl)-, 4-Acetyl-1,5-dihydro-3-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-5-(2-thienyl)-2H-pyrrol-2-one, 3-acetyl-4-hydroxy-1-(2-imidazol-4-ylethyl)-5-oxo-2-(2-thienyl)-3-pyrroline, 3-acetyl-4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-yl-2H-pyrrol-5-one
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 1.9983 |
| Topological Polar Surface Area | 86.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 719.31635 |
Chemical Identifiers
| CAS Number | 889956-08-5 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=CS2)CCC3=CN=CN3)O |
Product Overview
A3951/0168312 (CAS 889956-08-5), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: 3-acetyl-4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-2-thiophen-2-yl-2H-pyrrol-5-one.
Chemical Property Profile of A3951/0168312
Property Insights of A3951/0168312
The XLogP value of 1.9983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3951/0168312. The TPSA of 86.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A3951/0168312. Following Lipinski's Rule of Five, A3951/0168312 has 2 hydrogen bond donor(s) and 5 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 A3951/0168312?
The CAS number of A3951/0168312 is 889956-08-5.
What is the molecular formula of A3951/0168312?
The molecular formula of A3951/0168312 is C15H15N3O3S.
What is the molecular weight of A3951/0168312?
The molecular weight of A3951/0168312 is 317.08 g/mol.
Where can I buy A3951/0168312?
You can request a quote for A3951/0168312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3951/0168312?
Yes, KEHONG BIO provides custom synthesis services for A3951/0168312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.