Hex-2-enedioic acid dimethyl ester
TL;DR: Hex-2-enedioic acid dimethyl ester (CAS 70353-99-0) 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 hex-2-enedioate
Also Known As: dimethyl hex-2-enedioate, dimethyl 2-hexenedioate, (E)-Dimethyl hex-2-enedioate, Dimethyltrans-3-Hexenedioate, 1,6-DIMETHYL HEX-2-ENEDIOATE
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.7 |
| 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 | 183.0 |
Chemical Identifiers
| CAS Number | 70353-99-0 |
|---|---|
| SMILES | COC(=O)CCC=CC(=O)OC |
| InChIKey | QPFMISCWBTXLFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-2-enedioic acid dimethyl ester (CAS 70353-99-0), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: dimethyl hex-2-enedioate.
Chemical Property Profile of Hex-2-enedioic acid dimethyl ester
Property Insights of Hex-2-enedioic acid dimethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-2-enedioic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Hex-2-enedioic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-2-enedioic acid dimethyl ester 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 Hex-2-enedioic acid dimethyl ester?
The CAS number of Hex-2-enedioic acid dimethyl ester is 70353-99-0.
What is the molecular formula of Hex-2-enedioic acid dimethyl ester?
The molecular formula of Hex-2-enedioic acid dimethyl ester is C8H12O4.
What is the molecular weight of Hex-2-enedioic acid dimethyl ester?
The molecular weight of Hex-2-enedioic acid dimethyl ester is 172.07 g/mol.
Where can I buy Hex-2-enedioic acid dimethyl ester?
You can request a quote for Hex-2-enedioic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-2-enedioic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hex-2-enedioic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.