(5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione
TL;DR: (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione (CAS 327043-76-5) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-nitrophenyl)furan-2-yl]-piperidin-1-ylmethanethione
Also Known As: (5-(4-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione, BAS 00634218, BIM-0029122.P001, 1-[5-(4-nitrophenyl)furan-2-carbothioyl]piperidine, [5-(4-nitrophenyl)furan-2-yl]-piperidin-1-ylmethanethione
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 327043-76-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | PVTZGVLYRYULBL-UHFFFAOYSA-N |
Product Overview
(5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione (CAS 327043-76-5), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: [5-(4-nitrophenyl)furan-2-yl]-piperidin-1-ylmethanethione.
Chemical Property Profile of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione
Property Insights of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione
The XLogP value of 3.7 indicates that (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione. Following Lipinski's Rule of Five, (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione has 0 hydrogen bond donor(s) and 4 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 (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
The CAS number of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is 327043-76-5.
What is the molecular formula of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
The molecular formula of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is C16H16N2O3S.
What is the molecular weight of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
The molecular weight of (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is 316.09 g/mol.
Where can I buy (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
You can request a quote for (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (5-(4-Nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.