A3789/0160874
TL;DR: A3789/0160874 (CAS 727682-94-2) is a chemical compound with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
Also Known As: A3789/0160874, 3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione, 3-{4-[4-(pyridin-4-ylcarbonyl)phenyl]piperazin-1-yl}-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione, 3-[4-(4-isonicotinoylphenyl)-1-piperazinyl]-1-(2-thienylmethyl)-2,5-pyrrolidinedione, 3-{4-[4-(4-PYRIDYLCARBONYL)PHENYL]PIPERAZINO}-1-(2-THIENYLMETHYL)DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C25H24N4O3S |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 2.8238 |
| Topological Polar Surface Area | 73.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.15692 |
| Heavy Atoms | 33 |
| Complexity | 1140.1647 |
Chemical Identifiers
| CAS Number | 727682-94-2 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=CC=C(C=C4)C(=O)C5=CC=NC=C5 |
Product Overview
A3789/0160874 (CAS 727682-94-2), with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol. IUPAC: 3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.
Chemical Property Profile of A3789/0160874
Property Insights of A3789/0160874
The XLogP value of 2.8238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3789/0160874. The TPSA of 73.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A3789/0160874. Following Lipinski's Rule of Five, A3789/0160874 has 0 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 A3789/0160874?
The CAS number of A3789/0160874 is 727682-94-2.
What is the molecular formula of A3789/0160874?
The molecular formula of A3789/0160874 is C25H24N4O3S.
What is the molecular weight of A3789/0160874?
The molecular weight of A3789/0160874 is 460.16 g/mol.
Where can I buy A3789/0160874?
You can request a quote for A3789/0160874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3789/0160874?
Yes, KEHONG BIO provides custom synthesis services for A3789/0160874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.