1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)
TL;DR: 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) (CAS 124645-37-0) is a chemical compound with molecular formula C26H33ClN2O5S2 and molecular weight 552.1519 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butanedioic acid;2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt), Butanedioic acid--2-(4-{2-[(2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]ethyl}piperazin-1-yl)ethan-1-ol (1/1), butanedioic acid; 2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol
Technical Specifications
| Molecular Formula | C26H33ClN2O5S2 |
| Molecular Weight | 552.1519 g/mol |
| XLogP | 4.3673 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.1519 Da |
| Heavy Atoms | 36 |
| Complexity | 570.0 |
| SMILES | C1CN(CCN1CCO)CCSC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.C(CC(=O)O)C(=O)O |
| InChIKey | MHJKEBDNVRKRLH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)
Property Insights of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)
The XLogP value of 4.3673 indicates that 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) 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-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)?
The CAS number of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) is 124645-37-0.
What is the molecular formula of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)?
The molecular formula of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) is C26H33ClN2O5S2.
What is the molecular weight of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)?
The molecular weight of 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) is 552.1519 g/mol.
Where can I buy 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)?
You can request a quote for 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)?
Yes, CoreyChem provides custom synthesis services for 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.