dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate
TL;DR: dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate (CAS 3533-63-9) 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 (E)-2-(dimethylamino)but-2-enedioate
Also Known As: 2-dimethylaminomaleic acid dimethylester, 2-(Dimethylamino)maleic acid dimethyl ester, dimethyl (E)-2-(dimethylamino)but-2-enedioate, 1,4-dimethyl (2E)-2-(dimethylamino)but-2-enedioate, dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | -0.2221 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 232.29852 |
Chemical Identifiers
| CAS Number | 3533-63-9 |
|---|---|
| SMILES | CN(C)/C(=C/C(=O)OC)/C(=O)OC |
Product Overview
dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate (CAS 3533-63-9), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: dimethyl (E)-2-(dimethylamino)but-2-enedioate.
Chemical Property Profile of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate
Property Insights of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate
The XLogP value of -0.2221 indicates that dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.84 Ų, dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate 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 (2E)-2-(dimethylamino)but-2-ene-1,4-dioate?
The CAS number of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate is 3533-63-9.
What is the molecular formula of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate?
The molecular formula of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate is C8H13NO4.
What is the molecular weight of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate?
The molecular weight of dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate is 187.08 g/mol.
Where can I buy dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate?
You can request a quote for dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (2E)-2-(dimethylamino)but-2-ene-1,4-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.