![1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine structure](/static/products/4337/433702-47-7.webp)
1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine
TL;DR: 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine (CAS 433702-47-7) is a chemical compound with molecular formula C16H19N3O5S2 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine
Also Known As: BRD-K45285207-001-08-3, 1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine, 1-[3-(2-furfurylthio)-4-nitro-phenyl]-4-mesyl-piperazine, A3145/0132965, 1-{3-[(2-furylmethyl)thio]-4-nitrophenyl}-4-(methylsulfonyl)piperazine
| Molecular Formula | C16H19N3O5S2 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 2.5617 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0766 |
| Heavy Atoms | 26 |
| Complexity | 875.2951 |
Chemical Identifiers
| CAS Number | 433702-47-7 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3 |
Product Overview
1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine (CAS 433702-47-7), with molecular formula C16H19N3O5S2 and molecular weight 397.08 g/mol. IUPAC: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine
Property Insights of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine
The XLogP value of 2.5617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine. Following Lipinski's Rule of Five, 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine 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 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine?
The CAS number of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine is 433702-47-7.
What is the molecular formula of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine?
The molecular formula of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine is C16H19N3O5S2.
What is the molecular weight of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine?
The molecular weight of 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine is 397.08 g/mol.
Where can I buy 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine?
You can request a quote for 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.