2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde
TL;DR: 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde (CAS 19809-87-1) is a chemical compound with molecular formula C14H16OS and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6,7,8-hexahydro-1H-thioxanthene-4-carbaldehyde
Also Known As: 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde, 1H-Thioxanthene-4-carboxaldehyde, 2,3,5,6,7,8-hexahydro-, 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde #, RefChem:244066
| Molecular Formula | C14H16OS |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0922 |
| Heavy Atoms | 16 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 19809-87-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C3CCCC(=C3S2)C=O |
| InChIKey | FXZFUISJCLFSGS-UHFFFAOYSA-N |
Product Overview
2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde (CAS 19809-87-1), with molecular formula C14H16OS and molecular weight 232.09 g/mol. IUPAC: 2,3,5,6,7,8-hexahydro-1H-thioxanthene-4-carbaldehyde.
Chemical Property Profile of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde
Property Insights of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde. With a topological polar surface area (TPSA) of 42.4 Ų, 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde has 0 hydrogen bond donor(s) and 2 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 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde?
The CAS number of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde is 19809-87-1.
What is the molecular formula of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde?
The molecular formula of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde is C14H16OS.
What is the molecular weight of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde?
The molecular weight of 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde is 232.09 g/mol.
Where can I buy 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde?
You can request a quote for 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6,7,8-Hexahydro-1H-thioxanthene-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.