RefChem:1096208
TL;DR: RefChem:1096208 (CAS 15185-97-4) is a chemical compound with molecular formula C22H23NO4S2 and molecular weight 429.10684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
Also Known As: 1-Methyl-4-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidenepiperidine maleate, Piperidine, 1-methyl-4-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, maleate (1:1), 4-(1-Methyl-4-piperidylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrogen maleate, (E)-but-2-enedioic acid; 1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
Technical Specifications
| Molecular Formula | C22H23NO4S2 |
| Molecular Weight | 429.10684 g/mol |
| XLogP | 4.5931 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.10684 Da |
| Heavy Atoms | 29 |
| Complexity | 528.0 |
| SMILES | CN1CCC(=C2C3=C(SCC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O |
| InChIKey | HNHKLAXMHKXXNL-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1096208
Property Insights of RefChem:1096208
The XLogP value of 4.5931 indicates that RefChem:1096208 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096208. Following Lipinski's Rule of Five, RefChem:1096208 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1096208?
The CAS number of RefChem:1096208 is 15185-97-4.
What is the molecular formula of RefChem:1096208?
The molecular formula of RefChem:1096208 is C22H23NO4S2.
What is the molecular weight of RefChem:1096208?
The molecular weight of RefChem:1096208 is 429.10684 g/mol.
Where can I buy RefChem:1096208?
You can request a quote for RefChem:1096208 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096208?
Yes, CoreyChem provides custom synthesis services for RefChem:1096208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.