SK&F 104856
TL;DR: SK&F 104856 (CAS 138194-10-2) is a chemical compound with molecular formula C14H14ClNS and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-ethenyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
Also Known As: Skf 104856, SK&F-104856, SK&F 104856, PDSP1_000857, PDSP1_000858
| Molecular Formula | C14H14ClNS |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.05356 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 138194-10-2 |
|---|---|
| SMILES | CN1CCC2=C(C=CC3=C2C(=C(S3)C=C)C1)Cl |
| InChIKey | WKXSXFYQPCWZOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SK&F 104856 (CAS 138194-10-2), with molecular formula C14H14ClNS and molecular weight 263.05 g/mol. IUPAC: 7-chloro-2-ethenyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.
Chemical Property Profile of SK&F 104856
Property Insights of SK&F 104856
The XLogP value of 4.2 indicates that SK&F 104856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, SK&F 104856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SK&F 104856 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 SK&F 104856?
The CAS number of SK&F 104856 is 138194-10-2.
What is the molecular formula of SK&F 104856?
The molecular formula of SK&F 104856 is C14H14ClNS.
What is the molecular weight of SK&F 104856?
The molecular weight of SK&F 104856 is 263.05 g/mol.
Where can I buy SK&F 104856?
You can request a quote for SK&F 104856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK&F 104856?
Yes, KEHONG BIO provides custom synthesis services for SK&F 104856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.