RefChem:1052354
TL;DR: RefChem:1052354 (CAS 117125-51-6) is a chemical compound with molecular formula C24H26N2O8S and molecular weight 502.141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);N'-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine
Also Known As: N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-1,2-ethanediamine (Z)-2-butenedioate (1:2), 1,2-Ethanediamine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:2), N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)ethylenediamine bis(hydrogen maleate), (E)-but-2-enedioic acid; N'-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine
Technical Specifications
| Molecular Formula | C24H26N2O8S |
| Molecular Weight | 502.141 g/mol |
| XLogP | 2.3536 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.141 Da |
| Heavy Atoms | 35 |
| Complexity | 403.0 |
| SMILES | C1SC2=CC=CC=C2C(C3=CC=CC=C31)NCCN.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | VKMYXTRYCNWMDX-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1052354
Property Insights of RefChem:1052354
The XLogP value of 2.3536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1052354. The TPSA of 213.0 Ų indicates high polarity, suggesting RefChem:1052354 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052354 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1052354?
The CAS number of RefChem:1052354 is 117125-51-6.
What is the molecular formula of RefChem:1052354?
The molecular formula of RefChem:1052354 is C24H26N2O8S.
What is the molecular weight of RefChem:1052354?
The molecular weight of RefChem:1052354 is 502.141 g/mol.
Where can I buy RefChem:1052354?
You can request a quote for RefChem:1052354 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1052354?
Yes, CoreyChem provides custom synthesis services for RefChem:1052354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.