(5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione
TL;DR: (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione (CAS 330951-34-3) is a chemical compound with molecular formula C16H15ClN2O3S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-chloro-3-nitrophenyl)furan-2-yl]-piperidin-1-ylmethanethione
Also Known As: 1-[5-(4-CHLORO-3-NITROPHENYL)FURAN-2-CARBOTHIOYL]PIPERIDINE, F0494-0156, (5-(4-chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione, [5-(4-chloro-3-nitrophenyl)furan-2-yl]-piperidin-1-ylmethanethione, [5-(4-chloro-3-nitrophenyl)-2-furyl]piperidinomethanethione
| Molecular Formula | C16H15ClN2O3S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 4.6696 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0492 |
| Heavy Atoms | 23 |
| Complexity | 753.5337 |
Chemical Identifiers
| CAS Number | 330951-34-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
(5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione (CAS 330951-34-3), with molecular formula C16H15ClN2O3S and molecular weight 350.05 g/mol. IUPAC: [5-(4-chloro-3-nitrophenyl)furan-2-yl]-piperidin-1-ylmethanethione.
Chemical Property Profile of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione
Property Insights of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione
The XLogP value of 4.6696 indicates that (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.52 Ų, (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-(4-Chloro-3-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-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
The CAS number of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is 330951-34-3.
What is the molecular formula of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
The molecular formula of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is C16H15ClN2O3S.
What is the molecular weight of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
The molecular weight of (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione is 350.05 g/mol.
Where can I buy (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
You can request a quote for (5-(4-Chloro-3-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-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (5-(4-Chloro-3-nitrophenyl)furan-2-yl)(piperidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.