2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-
TL;DR: 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- (CAS 120461-65-6) is a chemical compound with molecular formula C7H9ClO4 and molecular weight 192.01894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 3-chloropent-2-enedioate
Also Known As: Dimethyl 3-chloropent-2-enedioate, dimethyl 3-chloroglutaconate, dimethyl 3-chloro-2-pentenedioate, 8-CHLORO-6-HYDROXYMETHYLCAPRYLATE, dimethyl 3-chloro-2-pentene-1,5-dioate
Technical Specifications
| Molecular Formula | C7H9ClO4 |
| Molecular Weight | 192.01894 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.01894 Da |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
| SMILES | COC(=O)CC(=CC(=O)OC)Cl |
| InChIKey | QDMDYMAXAZKWQJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-
Property Insights of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- 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
What is the CAS number of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-?
The CAS number of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- is 120461-65-6.
What is the molecular formula of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-?
The molecular formula of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- is C7H9ClO4.
What is the molecular weight of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-?
The molecular weight of 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- is 192.01894 g/mol.
Where can I buy 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-?
You can request a quote for 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)-?
Yes, CoreyChem provides custom synthesis services for 2-Pentenedioic acid, 3-chloro-, dimethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.