RefChem:1096176
TL;DR: RefChem:1096176 (CAS 15053-14-2) is a chemical compound with molecular formula C28H30ClNS and molecular weight 447.17874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenylpiperidine;hydrochloride
Also Known As: 1-(3-Dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-4-phenylpiperidine hydrochloride, Piperidine, 1-(3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-4-phenyl-, hydrochloride, 11-(3-(4-Phenylpiperidino)propylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride, 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenylpiperidine hydrochloride
Technical Specifications
| Molecular Formula | C28H30ClNS |
| Molecular Weight | 447.17874 g/mol |
| XLogP | 7.4155 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.17874 Da |
| Heavy Atoms | 31 |
| Complexity | 557.0 |
| SMILES | C1CN(CCC1C2=CC=CC=C2)CC/C=C/3\C4=CC=CC=C4CSC5=CC=CC=C53.Cl |
| InChIKey | CRKUFHOTUCIYJU-BCUBJXSGSA-N |
Chemical Property Profile of RefChem:1096176
Property Insights of RefChem:1096176
The XLogP value of 7.4155 indicates that RefChem:1096176 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:1096176 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096176 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:1096176?
The CAS number of RefChem:1096176 is 15053-14-2.
What is the molecular formula of RefChem:1096176?
The molecular formula of RefChem:1096176 is C28H30ClNS.
What is the molecular weight of RefChem:1096176?
The molecular weight of RefChem:1096176 is 447.17874 g/mol.
Where can I buy RefChem:1096176?
You can request a quote for RefChem:1096176 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096176?
Yes, CoreyChem provides custom synthesis services for RefChem:1096176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.