RefChem:1062619
TL;DR: RefChem:1062619 (CAS 129320-18-9) is a chemical compound with molecular formula C22H29ClN2O13 and molecular weight 564.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(dimethylamino)ethyl] (Z)-2-(4-chlorophenoxy)but-2-enedioate;oxalic acid
Also Known As: 2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, ethanedioate (1:2), Bis(2-dimethylaminoethyl) (Z)-2-(4-chlorophenoxy)but-2-enedioate; Oxalic Acid, RefChem:1062619
| Molecular Formula | C22H29ClN2O13 |
|---|---|
| Molecular Weight | 564.14 g/mol |
| LogP | 0.1235 |
| Topological Polar Surface Area | 217.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.1358 |
| Heavy Atoms | 38 |
| Complexity | 927.9634 |
Chemical Identifiers
| CAS Number | 129320-18-9 |
|---|---|
| SMILES | CN(C)CCOC(=O)/C=C(/C(=O)OCCN(C)C)\OC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:1062619 (CAS 129320-18-9), with molecular formula C22H29ClN2O13 and molecular weight 564.14 g/mol. IUPAC: bis[2-(dimethylamino)ethyl] (Z)-2-(4-chlorophenoxy)but-2-enedioate;oxalic acid.
Chemical Property Profile of RefChem:1062619
Property Insights of RefChem:1062619
The XLogP value of 0.1235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062619. The TPSA of 217.51 Ų indicates high polarity, suggesting RefChem:1062619 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1062619 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1062619?
The CAS number of RefChem:1062619 is 129320-18-9.
What is the molecular formula of RefChem:1062619?
The molecular formula of RefChem:1062619 is C22H29ClN2O13.
What is the molecular weight of RefChem:1062619?
The molecular weight of RefChem:1062619 is 564.14 g/mol.
Where can I buy RefChem:1062619?
You can request a quote for RefChem:1062619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062619?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.