SK&F 104078
TL;DR: SK&F 104078 (CAS 110857-22-2) is a chemical compound with molecular formula C16H22ClNO and molecular weight 279.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine
Also Known As: Skf 104078, SK&F-104078, SK&F 104078, SK and F 104078, PDSP1_000610
| Molecular Formula | C16H22ClNO |
|---|---|
| Molecular Weight | 279.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.13898 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 110857-22-2 |
|---|---|
| SMILES | CC(=CCOC1=C2CCN(CCC2=C(C=C1)Cl)C)C |
| InChIKey | MBYSTKNEMJZSIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SK&F 104078 (CAS 110857-22-2), with molecular formula C16H22ClNO and molecular weight 279.14 g/mol. IUPAC: 6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine.
Chemical Property Profile of SK&F 104078
Property Insights of SK&F 104078
The XLogP value of 4.4 indicates that SK&F 104078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, SK&F 104078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SK&F 104078 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 104078?
The CAS number of SK&F 104078 is 110857-22-2.
What is the molecular formula of SK&F 104078?
The molecular formula of SK&F 104078 is C16H22ClNO.
What is the molecular weight of SK&F 104078?
The molecular weight of SK&F 104078 is 279.14 g/mol.
Where can I buy SK&F 104078?
You can request a quote for SK&F 104078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK&F 104078?
Yes, KEHONG BIO provides custom synthesis services for SK&F 104078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.