A3084/0130462
TL;DR: A3084/0130462 (CAS 433699-55-9) is a chemical compound with molecular formula C22H20FN3O4S and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazin-1-yl]methanone
Also Known As: A3084/0130462, (4-fluorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazin-1-yl]methanone, 4-fluorophenyl 4-[3-(2-furylmethylthio)-4-nitrophenyl]piperazinyl ketone, (4-fluorophenyl)(4-{3-[(furan-2-ylmethyl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)methanone
| Molecular Formula | C22H20FN3O4S |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 4.5816 |
| Topological Polar Surface Area | 79.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.11584 |
| Heavy Atoms | 31 |
| Complexity | 1064.8699 |
Chemical Identifiers
| CAS Number | 433699-55-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3)C(=O)C4=CC=C(C=C4)F |
Product Overview
A3084/0130462 (CAS 433699-55-9), with molecular formula C22H20FN3O4S and molecular weight 441.12 g/mol. IUPAC: (4-fluorophenyl)-[4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazin-1-yl]methanone.
Chemical Property Profile of A3084/0130462
Property Insights of A3084/0130462
The XLogP value of 4.5816 indicates that A3084/0130462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.83 Ų falls within the moderate polarity range, balancing permeability and solubility for A3084/0130462. Following Lipinski's Rule of Five, A3084/0130462 has 0 hydrogen bond donor(s) and 6 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 A3084/0130462?
The CAS number of A3084/0130462 is 433699-55-9.
What is the molecular formula of A3084/0130462?
The molecular formula of A3084/0130462 is C22H20FN3O4S.
What is the molecular weight of A3084/0130462?
The molecular weight of A3084/0130462 is 441.12 g/mol.
Where can I buy A3084/0130462?
You can request a quote for A3084/0130462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3084/0130462?
Yes, KEHONG BIO provides custom synthesis services for A3084/0130462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.