RefChem:1062618
TL;DR: RefChem:1062618 (CAS 129320-19-0) is a chemical compound with molecular formula C26H33ClN2O13 and molecular weight 616.1671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[2-(dimethylamino)ethyl] (Z)-2-(4-chlorophenoxy)but-2-enedioate;bis((E)-but-2-enedioic acid)
Also Known As: 2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, (Z)-2-butenedioate (1:2), bis(2-dimethylaminoethyl) (Z)-2-(4-chlorophenoxy)but-2-enedioate; (E)-but-2-enedioic acid, Bis(2-dimethylaminoethyl) (Z)-2-(4-chlorophenoxy)but-2-enedioate; But-2-enedioic Acid
Technical Specifications
| Molecular Formula | C26H33ClN2O13 |
| Molecular Weight | 616.1671 g/mol |
| XLogP | 1.2359 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 616.1671 Da |
| Heavy Atoms | 42 |
| Complexity | 593.0 |
| SMILES | CN(CCOC(=O)/C=C(\OC1=CC=C(C=C1)Cl)/C(=O)OCCN(C)C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | WHEAJFJHQPTUEP-VWLJOHICSA-N |
Chemical Property Profile of RefChem:1062618
Property Insights of RefChem:1062618
The XLogP value of 1.2359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062618. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:1062618 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1062618 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1062618?
The CAS number of RefChem:1062618 is 129320-19-0.
What is the molecular formula of RefChem:1062618?
The molecular formula of RefChem:1062618 is C26H33ClN2O13.
What is the molecular weight of RefChem:1062618?
The molecular weight of RefChem:1062618 is 616.1671 g/mol.
Where can I buy RefChem:1062618?
You can request a quote for RefChem:1062618 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1062618?
Yes, CoreyChem provides custom synthesis services for RefChem:1062618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.