RefChem:1095694
TL;DR: RefChem:1095694 (CAS 112446-56-7) is a chemical compound with molecular formula C29H33Cl3N2O9S and molecular weight 690.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(2-methoxyethyl)piperazine
Also Known As: Piperazine, 1-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-4-(2-methoxyethyl)-, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(2-methoxyethyl)piperazine, RefChem:1095694
| Molecular Formula | C29H33Cl3N2O9S |
|---|---|
| Molecular Weight | 690.10 g/mol |
| LogP | 5.5466 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 690.0972 |
| Heavy Atoms | 44 |
| Complexity | 1267.1611 |
Chemical Identifiers
| CAS Number | 112446-56-7 |
|---|---|
| SMILES | CC(N1CCN(CC1)CCOC)C2=C(C=CC(=C2)Cl)SC3=CC(=C(C=C3)Cl)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1095694 (CAS 112446-56-7), with molecular formula C29H33Cl3N2O9S and molecular weight 690.10 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(2-methoxyethyl)piperazine.
Chemical Property Profile of RefChem:1095694
Property Insights of RefChem:1095694
The XLogP value of 5.5466 indicates that RefChem:1095694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1095694 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095694 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095694?
The CAS number of RefChem:1095694 is 112446-56-7.
What is the molecular formula of RefChem:1095694?
The molecular formula of RefChem:1095694 is C29H33Cl3N2O9S.
What is the molecular weight of RefChem:1095694?
The molecular weight of RefChem:1095694 is 690.10 g/mol.
Where can I buy RefChem:1095694?
You can request a quote for RefChem:1095694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.