RefChem:1056834
TL;DR: RefChem:1056834 (CAS 124645-24-5) is a chemical compound with molecular formula C23H26ClNO4S2 and molecular weight 479.09918 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;3-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N,N-dimethylpropan-1-amine
Also Known As: (+-)-N,N-Dimethyl-3-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)propylamine maleate, 1-Propanamine, 3-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethyl-, (+-)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N,N-dimethylpropan-1-amine
Technical Specifications
| Molecular Formula | C23H26ClNO4S2 |
| Molecular Weight | 479.09918 g/mol |
| XLogP | 5.4851 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.09918 Da |
| Heavy Atoms | 31 |
| Complexity | 484.0 |
| SMILES | CN(C)CCCSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O |
| InChIKey | FOBWXNSYRLSTOU-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1056834
Property Insights of RefChem:1056834
The XLogP value of 5.4851 indicates that RefChem:1056834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056834. Following Lipinski's Rule of Five, RefChem:1056834 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056834?
The CAS number of RefChem:1056834 is 124645-24-5.
What is the molecular formula of RefChem:1056834?
The molecular formula of RefChem:1056834 is C23H26ClNO4S2.
What is the molecular weight of RefChem:1056834?
The molecular weight of RefChem:1056834 is 479.09918 g/mol.
Where can I buy RefChem:1056834?
You can request a quote for RefChem:1056834 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056834?
Yes, CoreyChem provides custom synthesis services for RefChem:1056834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.