Docloxythepin phenylacetate maleate
TL;DR: Docloxythepin phenylacetate maleate (CAS 108263-52-1) is a chemical compound with molecular formula C32H33ClN2O6S and molecular weight 608.1748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethyl 2-phenylacetate
Also Known As: Docloxythepin phenylacetate maleate, Acetic acid, phenyl-, 2-(4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl ester, maleate (1:1), 2-Chloro-10-(4-(4-phenylacetoxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
Technical Specifications
| Molecular Formula | C32H33ClN2O6S |
| Molecular Weight | 608.1748 g/mol |
| XLogP | 5.2037 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 608.1748 Da |
| Heavy Atoms | 42 |
| Complexity | 771.0 |
| SMILES | C1CN(CCN1CCOC(=O)CC2=CC=CC=C2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35.C(=CC(=O)O)C(=O)O |
| InChIKey | KBIIKOVUPFCIMC-UHFFFAOYSA-N |
Chemical Property Profile of Docloxythepin phenylacetate maleate
Property Insights of Docloxythepin phenylacetate maleate
The XLogP value of 5.2037 indicates that Docloxythepin phenylacetate maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Docloxythepin phenylacetate maleate. Following Lipinski's Rule of Five, Docloxythepin phenylacetate maleate has 2 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 Docloxythepin phenylacetate maleate?
The CAS number of Docloxythepin phenylacetate maleate is 108263-52-1.
What is the molecular formula of Docloxythepin phenylacetate maleate?
The molecular formula of Docloxythepin phenylacetate maleate is C32H33ClN2O6S.
What is the molecular weight of Docloxythepin phenylacetate maleate?
The molecular weight of Docloxythepin phenylacetate maleate is 608.1748 g/mol.
Where can I buy Docloxythepin phenylacetate maleate?
You can request a quote for Docloxythepin phenylacetate maleate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Docloxythepin phenylacetate maleate?
Yes, CoreyChem provides custom synthesis services for Docloxythepin phenylacetate maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.