RefChem:1100062
TL;DR: RefChem:1100062 (CAS 63869-62-5) is a chemical compound with molecular formula C24H29Cl3N2O2S and molecular weight 514.10156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate;dihydrochloride
Also Known As: N 761, Thioxanthene, 2-chloro-9-(3-(4-(2-methoxycarbonylethyl)piperazinyl)propylidene)-, dihydrochloride, 1-Piperazinepropanoic acid, 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-, methyl ester, dihydrochloride, methyl 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate dihydrochloride
Technical Specifications
| Molecular Formula | C24H29Cl3N2O2S |
| Molecular Weight | 514.10156 g/mol |
| XLogP | 5.6507 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.10156 Da |
| Heavy Atoms | 32 |
| Complexity | 608.0 |
| SMILES | COC(=O)CCN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl.Cl |
| InChIKey | CFAPPJQXJQUYNZ-AUUXLREUSA-N |
Chemical Property Profile of RefChem:1100062
Property Insights of RefChem:1100062
The XLogP value of 5.6507 indicates that RefChem:1100062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, RefChem:1100062 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1100062 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1100062?
The CAS number of RefChem:1100062 is 63869-62-5.
What is the molecular formula of RefChem:1100062?
The molecular formula of RefChem:1100062 is C24H29Cl3N2O2S.
What is the molecular weight of RefChem:1100062?
The molecular weight of RefChem:1100062 is 514.10156 g/mol.
Where can I buy RefChem:1100062?
You can request a quote for RefChem:1100062 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1100062?
Yes, CoreyChem provides custom synthesis services for RefChem:1100062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.