1,5-Dimethyl 2-pentenedioate
TL;DR: 1,5-Dimethyl 2-pentenedioate (CAS 5164-76-1) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl pent-2-enedioate
Also Known As: Dimethyl glutaconate, dimethyl pent-2-enedioate, glutaconic acid dimethyl ester, 1,5-Dimethyl 2-pentenedioate, 2-Pentenedioic acid, dimethyl ester
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 5164-76-1 |
|---|---|
| SMILES | COC(=O)CC=CC(=O)OC |
| InChIKey | SKCGFFOFYXLNCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dimethyl 2-pentenedioate (CAS 5164-76-1), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: dimethyl pent-2-enedioate.
Chemical Property Profile of 1,5-Dimethyl 2-pentenedioate
Property Insights of 1,5-Dimethyl 2-pentenedioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl 2-pentenedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Dimethyl 2-pentenedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl 2-pentenedioate 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 1,5-Dimethyl 2-pentenedioate?
The CAS number of 1,5-Dimethyl 2-pentenedioate is 5164-76-1.
What is the molecular formula of 1,5-Dimethyl 2-pentenedioate?
The molecular formula of 1,5-Dimethyl 2-pentenedioate is C7H10O4.
What is the molecular weight of 1,5-Dimethyl 2-pentenedioate?
The molecular weight of 1,5-Dimethyl 2-pentenedioate is 158.06 g/mol.
Where can I buy 1,5-Dimethyl 2-pentenedioate?
You can request a quote for 1,5-Dimethyl 2-pentenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl 2-pentenedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl 2-pentenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.