RefChem:1052979
TL;DR: RefChem:1052979 (CAS 118679-02-0) is a chemical compound with molecular formula C24H31N3O8S and molecular weight 521.18317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);N',N'-diethyl-N-(4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine
Also Known As: SR 44374 A, 1,3-Propanediamine, N,N-diethyl-N'-(4-phenyl-2-thiazolyl)-, (Z)-2-butenedioate (1:2), N,N-Diethyl-N'-(4-phenyl-2-thiazolyl)-1,3-propanediamine (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; N',N'-diethyl-N-(4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine
Technical Specifications
| Molecular Formula | C24H31N3O8S |
| Molecular Weight | 521.18317 g/mol |
| XLogP | 3.3775 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 521.18317 Da |
| Heavy Atoms | 36 |
| Complexity | 371.0 |
| SMILES | CCN(CCCNC1=NC(=CS1)C2=CC=CC=C2)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | AJZHYTJWRHQEQI-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1052979
Property Insights of RefChem:1052979
The XLogP value of 3.3775 indicates that RefChem:1052979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting RefChem:1052979 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052979 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1052979?
The CAS number of RefChem:1052979 is 118679-02-0.
What is the molecular formula of RefChem:1052979?
The molecular formula of RefChem:1052979 is C24H31N3O8S.
What is the molecular weight of RefChem:1052979?
The molecular weight of RefChem:1052979 is 521.18317 g/mol.
Where can I buy RefChem:1052979?
You can request a quote for RefChem:1052979 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1052979?
Yes, CoreyChem provides custom synthesis services for RefChem:1052979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.