3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide
TL;DR: 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide (CAS 314-00-1) is a chemical compound with molecular formula C19H18ClNOS and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-9-(1-methylpiperidin-4-ylidene)thioxanthene 10-oxide
Also Known As: 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide, 3-Chloro-9-(1-methylpiperidylidene-4)thioxanthene-10-oxide, Piperidine, 4-(3-chloro-10-oxido-9H-thioxanthen-9-ylidene)-1-methyl-, Piperidine, 4-(3-chloro-9H-thioxanthen-9-ylidene)-1-methyl-, S-oxide, 3-chloro-9-(1-methylpiperidin-4-ylidene)thioxanthene 10-oxide
| Molecular Formula | C19H18ClNOS |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.07977 |
| Heavy Atoms | 23 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 314-00-1 |
|---|---|
| SMILES | CN1CCC(=C2C3=C(C=C(C=C3)Cl)S(=O)C4=CC=CC=C42)CC1 |
| InChIKey | HWKBRTDQHNKYFQ-UHFFFAOYSA-N |
Product Overview
3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide (CAS 314-00-1), with molecular formula C19H18ClNOS and molecular weight 343.08 g/mol. IUPAC: 3-chloro-9-(1-methylpiperidin-4-ylidene)thioxanthene 10-oxide.
Chemical Property Profile of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide
Property Insights of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide
The XLogP value of 3.3 indicates that 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.5 Ų, 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide has 0 hydrogen bond donor(s) and 3 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 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide?
The CAS number of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide is 314-00-1.
What is the molecular formula of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide?
The molecular formula of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide is C19H18ClNOS.
What is the molecular weight of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide?
The molecular weight of 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide is 343.08 g/mol.
Where can I buy 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide?
You can request a quote for 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.