Dimethyl 3-methylpent-2-enedioate
TL;DR: Dimethyl 3-methylpent-2-enedioate (CAS 52313-87-8) 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 3-methylpent-2-enedioate
Also Known As: Dimethyl 3-methylpent-2-enedioate, Dimethyl 3-methylglutaconate, dimethyl (E)-3-methylpent-2-enedioate, Dimethyl3-methylpent-2-enedioate, 3-Methylglutakonic acid dimethyl ester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 52313-87-8 |
|---|---|
| SMILES | CC(=CC(=O)OC)CC(=O)OC |
| InChIKey | GBQBEQOEGMZCOH-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-methylpent-2-enedioate (CAS 52313-87-8), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: dimethyl 3-methylpent-2-enedioate.
Chemical Property Profile of Dimethyl 3-methylpent-2-enedioate
Property Insights of Dimethyl 3-methylpent-2-enedioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methylpent-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3-methylpent-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-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 Dimethyl 3-methylpent-2-enedioate?
The CAS number of Dimethyl 3-methylpent-2-enedioate is 52313-87-8.
What is the molecular formula of Dimethyl 3-methylpent-2-enedioate?
The molecular formula of Dimethyl 3-methylpent-2-enedioate is C8H12O4.
What is the molecular weight of Dimethyl 3-methylpent-2-enedioate?
The molecular weight of Dimethyl 3-methylpent-2-enedioate is 172.07 g/mol.
Where can I buy Dimethyl 3-methylpent-2-enedioate?
You can request a quote for Dimethyl 3-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 Dimethyl 3-methylpent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methylpent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.