RefChem:1056541
TL;DR: RefChem:1056541 (CAS 106754-77-2) is a chemical compound with molecular formula C27H33FN2O6S and molecular weight 532.20435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-[4-[(5S)-9-fluoro-11-oxo-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (R*,S*)-(+-), S-oxide, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 2-[4-[(5S)-9-fluoro-11-oxo-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethanol
Technical Specifications
| Molecular Formula | C27H33FN2O6S |
| Molecular Weight | 532.20435 g/mol |
| XLogP | 3.0347 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.20435 Da |
| Heavy Atoms | 37 |
| Complexity | 688.0 |
| SMILES | CC(C)C1=CC2=C(C=C1)S(=O)C3=C(C[C@@H]2N4CCN(CC4)CCO)C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JIKYGJCWUYFAJK-UEIHTRCASA-N |
Chemical Property Profile of RefChem:1056541
Property Insights of RefChem:1056541
The XLogP value of 3.0347 indicates that RefChem:1056541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056541. Following Lipinski's Rule of Five, RefChem:1056541 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056541?
The CAS number of RefChem:1056541 is 106754-77-2.
What is the molecular formula of RefChem:1056541?
The molecular formula of RefChem:1056541 is C27H33FN2O6S.
What is the molecular weight of RefChem:1056541?
The molecular weight of RefChem:1056541 is 532.20435 g/mol.
Where can I buy RefChem:1056541?
You can request a quote for RefChem:1056541 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056541?
Yes, CoreyChem provides custom synthesis services for RefChem:1056541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.