RefChem:1096230
TL;DR: RefChem:1096230 (CAS 102071-13-6) is a chemical compound with molecular formula C21H24ClNS and molecular weight 357.1318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-6H-benzo[c][1]benzothiepin-11-ylidenemethyl]-1-methylpiperidine;hydrochloride
Also Known As: 3-(Dibenzo(b,e)thiepin-6(11H)-ylidenemethyl)-1-methylpiperidine hydrochloride, Piperidine, 3-(dibenzo(b,e)thiepin-6(11H)-ylidenemethyl)-1-methyl-, hydrochloride, 3-[(E)-6H-benzo[c][1]benzothiepin-11-ylidenemethyl]-1-methylpiperidine hydrochloride
Technical Specifications
| Molecular Formula | C21H24ClNS |
| Molecular Weight | 357.1318 g/mol |
| XLogP | 5.4876 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.1318 Da |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
| SMILES | CN1CCCC(C1)/C=C/2\C3=CC=CC=C3CSC4=CC=CC=C42.Cl |
| InChIKey | BOYGPUQZESDYMZ-UNUAAEKOSA-N |
Chemical Property Profile of RefChem:1096230
Property Insights of RefChem:1096230
The XLogP value of 5.4876 indicates that RefChem:1096230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, RefChem:1096230 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096230 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1096230?
The CAS number of RefChem:1096230 is 102071-13-6.
What is the molecular formula of RefChem:1096230?
The molecular formula of RefChem:1096230 is C21H24ClNS.
What is the molecular weight of RefChem:1096230?
The molecular weight of RefChem:1096230 is 357.1318 g/mol.
Where can I buy RefChem:1096230?
You can request a quote for RefChem:1096230 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096230?
Yes, CoreyChem provides custom synthesis services for RefChem:1096230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.