1,5-Dimethyl 2-methylenepentanedioate
TL;DR: 1,5-Dimethyl 2-methylenepentanedioate (CAS 5621-44-3) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methylidenepentanedioate
Also Known As: Dimethyl 2-methylenepentanedioate, dimethyl 2-methylidenepentanedioate, Methyl methyleneglutarate, Dimethyl 2-methyleneglutarate, 2-METHYLENE-PENTANEDIOIC ACID DIMETHYL ESTER
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 5621-44-3 |
|---|---|
| SMILES | COC(=O)CCC(=C)C(=O)OC |
| InChIKey | URLYMBMJTPDVEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dimethyl 2-methylenepentanedioate (CAS 5621-44-3), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: dimethyl 2-methylidenepentanedioate.
Chemical Property Profile of 1,5-Dimethyl 2-methylenepentanedioate
Property Insights of 1,5-Dimethyl 2-methylenepentanedioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl 2-methylenepentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Dimethyl 2-methylenepentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl 2-methylenepentanedioate 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-methylenepentanedioate?
The CAS number of 1,5-Dimethyl 2-methylenepentanedioate is 5621-44-3.
What is the molecular formula of 1,5-Dimethyl 2-methylenepentanedioate?
The molecular formula of 1,5-Dimethyl 2-methylenepentanedioate is C8H12O4.
What is the molecular weight of 1,5-Dimethyl 2-methylenepentanedioate?
The molecular weight of 1,5-Dimethyl 2-methylenepentanedioate is 172.07 g/mol.
Where can I buy 1,5-Dimethyl 2-methylenepentanedioate?
You can request a quote for 1,5-Dimethyl 2-methylenepentanedioate 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-methylenepentanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl 2-methylenepentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.