![dimethyl 2-[(E)-but-2-enylidene]propanedioate structure](/static/products/513/51368-27-5.png)
dimethyl 2-[(E)-but-2-enylidene]propanedioate
TL;DR: dimethyl 2-[(E)-but-2-enylidene]propanedioate (CAS 51368-27-5) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(E)-but-2-enylidene]propanedioate
Also Known As: dimethyl but-2-en-1-ylidenepropanedioate, J1.985.392F, dimethyl 2-[(E)-but-2-enylidene]propanedioate, [(E)-2-Butenylidene]malonic acid dimethyl ester, [(2E)-2-Butenylidene]malonic acid dimethyl ester
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.8349 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 232.34032 |
Chemical Identifiers
| CAS Number | 51368-27-5 |
|---|---|
| SMILES | C/C=C/C=C(C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-[(E)-but-2-enylidene]propanedioate (CAS 51368-27-5), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: dimethyl 2-[(E)-but-2-enylidene]propanedioate.
Chemical Property Profile of dimethyl 2-[(E)-but-2-enylidene]propanedioate
Property Insights of dimethyl 2-[(E)-but-2-enylidene]propanedioate
The XLogP value of 0.8349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-[(E)-but-2-enylidene]propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl 2-[(E)-but-2-enylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 2-[(E)-but-2-enylidene]propanedioate has 0 hydrogen bond donor(s) and 4 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-[(E)-but-2-enylidene]propanedioate?
The CAS number of dimethyl 2-[(E)-but-2-enylidene]propanedioate is 51368-27-5.
What is the molecular formula of dimethyl 2-[(E)-but-2-enylidene]propanedioate?
The molecular formula of dimethyl 2-[(E)-but-2-enylidene]propanedioate is C9H12O4.
What is the molecular weight of dimethyl 2-[(E)-but-2-enylidene]propanedioate?
The molecular weight of dimethyl 2-[(E)-but-2-enylidene]propanedioate is 184.07 g/mol.
Where can I buy dimethyl 2-[(E)-but-2-enylidene]propanedioate?
You can request a quote for dimethyl 2-[(E)-but-2-enylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-[(E)-but-2-enylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[(E)-but-2-enylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.