Dimethyl penta-2,3-dienedioate
TL;DR: Dimethyl penta-2,3-dienedioate (CAS 1712-36-3) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl penta-2,3-dienedioate
Also Known As: dimethyl penta-2,3-dienedioate, dimethyl 2,3-pentadienedioate, dimethyl-2,3-pentadienedioate, 2,3-pentadienedioic acid, dimethyl ester, penta-2,3-dienedioic acid dimethyl ester
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1712-36-3 |
|---|---|
| SMILES | COC(=O)C=C=CC(=O)OC |
| InChIKey | FJLLBKDQCMPUSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl penta-2,3-dienedioate (CAS 1712-36-3), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: dimethyl penta-2,3-dienedioate.
Chemical Property Profile of Dimethyl penta-2,3-dienedioate
Property Insights of Dimethyl penta-2,3-dienedioate
The XLogP value of -0.2 indicates that Dimethyl penta-2,3-dienedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl penta-2,3-dienedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl penta-2,3-dienedioate 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 penta-2,3-dienedioate?
The CAS number of Dimethyl penta-2,3-dienedioate is 1712-36-3.
What is the molecular formula of Dimethyl penta-2,3-dienedioate?
The molecular formula of Dimethyl penta-2,3-dienedioate is C7H8O4.
What is the molecular weight of Dimethyl penta-2,3-dienedioate?
The molecular weight of Dimethyl penta-2,3-dienedioate is 156.04 g/mol.
Where can I buy Dimethyl penta-2,3-dienedioate?
You can request a quote for Dimethyl penta-2,3-dienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl penta-2,3-dienedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl penta-2,3-dienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.