Diethyl 2-methylpent-2-enedioate
TL;DR: Diethyl 2-methylpent-2-enedioate (CAS 58596-86-4) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methylpent-2-enedioate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 58596-86-4 |
|---|---|
| SMILES | CCOC(=O)CC=C(C)C(=O)OCC |
| InChIKey | PRUINWDMDYERSK-UHFFFAOYSA-N |
Product Overview
Diethyl 2-methylpent-2-enedioate (CAS 58596-86-4), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl 2-methylpent-2-enedioate.
Chemical Property Profile of Diethyl 2-methylpent-2-enedioate
Property Insights of Diethyl 2-methylpent-2-enedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-methylpent-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-methylpent-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-methylpent-2-enedioate 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 Diethyl 2-methylpent-2-enedioate?
The CAS number of Diethyl 2-methylpent-2-enedioate is 58596-86-4.
What is the molecular formula of Diethyl 2-methylpent-2-enedioate?
The molecular formula of Diethyl 2-methylpent-2-enedioate is C10H16O4.
What is the molecular weight of Diethyl 2-methylpent-2-enedioate?
The molecular weight of Diethyl 2-methylpent-2-enedioate is 200.10 g/mol.
Where can I buy Diethyl 2-methylpent-2-enedioate?
You can request a quote for Diethyl 2-methylpent-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methylpent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methylpent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.