RefChem:1096829
TL;DR: RefChem:1096829 (CAS 129320-05-4) is a chemical compound with molecular formula C13H23NO6 and molecular weight 289.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl 2,2-dimethylpropanoate
Also Known As: 2-(Dimethylamino)ethyl 2,2-dimethylpropanoate (E)-2-butenedioate (1:1), Propanoic acid, 2,2-dimethyl-, 2-(dimethylamino)ethyl ester, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-dimethylaminoethyl 2,2-dimethylpropanoate
Technical Specifications
| Molecular Formula | C13H23NO6 |
| Molecular Weight | 289.15253 g/mol |
| XLogP | 0.8491 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.15253 Da |
| Heavy Atoms | 20 |
| Complexity | 266.0 |
| SMILES | CC(C)(C)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JOLCGXIUOXZNMR-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1096829
Property Insights of RefChem:1096829
The XLogP value of 0.8491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096829. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096829. Following Lipinski's Rule of Five, RefChem:1096829 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1096829?
The CAS number of RefChem:1096829 is 129320-05-4.
What is the molecular formula of RefChem:1096829?
The molecular formula of RefChem:1096829 is C13H23NO6.
What is the molecular weight of RefChem:1096829?
The molecular weight of RefChem:1096829 is 289.15253 g/mol.
Where can I buy RefChem:1096829?
You can request a quote for RefChem:1096829 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096829?
Yes, CoreyChem provides custom synthesis services for RefChem:1096829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.