Dimethyl 2-(diisopropylamino)maleate
TL;DR: Dimethyl 2-(diisopropylamino)maleate (CAS 6854-66-6) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2-[di(propan-2-yl)amino]but-2-enedioate
Also Known As: dimethyl 2-(diisopropylamino)maleate, J3.658.350I, 2-(Diisopropylamino)maleic acid dimethyl ester, 1,4-dimethyl 2-[bis(propan-2-yl)amino]but-2-enedioate, 2-(Diisopropylamino)-2-butenedioic acid dimethyl ester
| Molecular Formula | C12H21NO4 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 1.3351 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.14706 |
| Heavy Atoms | 17 |
| Complexity | 299.6275 |
Chemical Identifiers
| CAS Number | 6854-66-6 |
|---|---|
| SMILES | CC(C)N(C(C)C)/C(=C/C(=O)OC)/C(=O)OC |
Product Overview
Dimethyl 2-(diisopropylamino)maleate (CAS 6854-66-6), with molecular formula C12H21NO4 and molecular weight 243.15 g/mol. IUPAC: dimethyl (E)-2-[di(propan-2-yl)amino]but-2-enedioate.
Chemical Property Profile of Dimethyl 2-(diisopropylamino)maleate
Property Insights of Dimethyl 2-(diisopropylamino)maleate
The XLogP value of 1.3351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(diisopropylamino)maleate. With a topological polar surface area (TPSA) of 55.84 Ų, Dimethyl 2-(diisopropylamino)maleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(diisopropylamino)maleate 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-(diisopropylamino)maleate?
The CAS number of Dimethyl 2-(diisopropylamino)maleate is 6854-66-6.
What is the molecular formula of Dimethyl 2-(diisopropylamino)maleate?
The molecular formula of Dimethyl 2-(diisopropylamino)maleate is C12H21NO4.
What is the molecular weight of Dimethyl 2-(diisopropylamino)maleate?
The molecular weight of Dimethyl 2-(diisopropylamino)maleate is 243.15 g/mol.
Where can I buy Dimethyl 2-(diisopropylamino)maleate?
You can request a quote for Dimethyl 2-(diisopropylamino)maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(diisopropylamino)maleate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(diisopropylamino)maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.