RefChem:1095784
TL;DR: RefChem:1095784 (CAS 101041-06-9) is a chemical compound with molecular formula C29H33ClN2O9S and molecular weight 620.15955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine
Also Known As: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine, Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)-, maleate (1:2), Cyclohexylidene-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-amine, 1-(2-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-(2-ethoxy-ethyl)-piperazine
Technical Specifications
| Molecular Formula | C29H33ClN2O9S |
| Molecular Weight | 620.15955 g/mol |
| XLogP | 3.776 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.15955 Da |
| Heavy Atoms | 42 |
| Complexity | 565.0 |
| SMILES | COCCN1CCN(CC1)C2C3=CC=CC=C3SC4=C(C2)C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XXWFPYSDOMJTNF-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1095784
Property Insights of RefChem:1095784
The XLogP value of 3.776 indicates that RefChem:1095784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting RefChem:1095784 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095784 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1095784?
The CAS number of RefChem:1095784 is 101041-06-9.
What is the molecular formula of RefChem:1095784?
The molecular formula of RefChem:1095784 is C29H33ClN2O9S.
What is the molecular weight of RefChem:1095784?
The molecular weight of RefChem:1095784 is 620.15955 g/mol.
Where can I buy RefChem:1095784?
You can request a quote for RefChem:1095784 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1095784?
Yes, CoreyChem provides custom synthesis services for RefChem:1095784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.