Dimethyl 2-(dimethylamino)but-2-enedioate
TL;DR: Dimethyl 2-(dimethylamino)but-2-enedioate (CAS 67751-25-1) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(dimethylamino)but-2-enedioate
Also Known As: dimethyl 2-(dimethylamino)fumarate, dimethyl 2-(dimethylamino)but-2-enedioate, 2-Butenedioic acid, 2-(dimethylamino)-, dimethyl ester, (Z)-
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 67751-25-1 |
|---|---|
| SMILES | CN(C)C(=CC(=O)OC)C(=O)OC |
| InChIKey | DMCVFMWVLZHIJL-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(dimethylamino)but-2-enedioate (CAS 67751-25-1), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: dimethyl 2-(dimethylamino)but-2-enedioate.
Chemical Property Profile of Dimethyl 2-(dimethylamino)but-2-enedioate
Property Insights of Dimethyl 2-(dimethylamino)but-2-enedioate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(dimethylamino)but-2-enedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Dimethyl 2-(dimethylamino)but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(dimethylamino)but-2-enedioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 2-(dimethylamino)but-2-enedioate?
The CAS number of Dimethyl 2-(dimethylamino)but-2-enedioate is 67751-25-1.
What is the molecular formula of Dimethyl 2-(dimethylamino)but-2-enedioate?
The molecular formula of Dimethyl 2-(dimethylamino)but-2-enedioate is C8H13NO4.
What is the molecular weight of Dimethyl 2-(dimethylamino)but-2-enedioate?
The molecular weight of Dimethyl 2-(dimethylamino)but-2-enedioate is 187.08 g/mol.
Where can I buy Dimethyl 2-(dimethylamino)but-2-enedioate?
You can request a quote for Dimethyl 2-(dimethylamino)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(dimethylamino)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(dimethylamino)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.