1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
TL;DR: 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (CAS 105419-52-1) is a chemical compound with molecular formula C25H27ClFN3O5S and molecular weight 535.1344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;3-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanamide
Also Known As: 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanamide
Technical Specifications
| Molecular Formula | C25H27ClFN3O5S |
| Molecular Weight | 535.1344 g/mol |
| XLogP | 3.4323 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1344 Da |
| Heavy Atoms | 36 |
| Complexity | 667.0 |
| SMILES | C1CN(CCN1CCC(=O)N)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.C(=C/C(=O)O)\C(=O)O |
| InChIKey | WSTQOVIEBPFNDJ-WLHGVMLRSA-N |
Chemical Property Profile of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
Property Insights of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.4323 indicates that 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)?
The CAS number of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) is 105419-52-1.
What is the molecular formula of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) is C25H27ClFN3O5S.
What is the molecular weight of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) is 535.1344 g/mol.
Where can I buy 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.