Dimethyl 2-benzylsuccinate
TL;DR: Dimethyl 2-benzylsuccinate (CAS 111266-28-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-benzylbutanedioate
Also Known As: Dimethyl 2-benzylsuccinate, dimethyl 2-benzylbutanedioate, methy Benzyl butanedioic acid, Dimethyl 2-benzylsuccinate #, METHYBENZYLBUTANEDIOICACID
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
| SMILES | COC(=O)CC(CC1=CC=CC=C1)C(=O)OC |
| InChIKey | RWYYXMPWROIWLA-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2-benzylsuccinate
Property Insights of Dimethyl 2-benzylsuccinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-benzylsuccinate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-benzylsuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-benzylsuccinate 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 Dimethyl 2-benzylsuccinate?
The CAS number of Dimethyl 2-benzylsuccinate is 111266-28-5.
What is the molecular formula of Dimethyl 2-benzylsuccinate?
The molecular formula of Dimethyl 2-benzylsuccinate is C13H16O4.
What is the molecular weight of Dimethyl 2-benzylsuccinate?
The molecular weight of Dimethyl 2-benzylsuccinate is 236.10486 g/mol.
Where can I buy Dimethyl 2-benzylsuccinate?
You can request a quote for Dimethyl 2-benzylsuccinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2-benzylsuccinate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2-benzylsuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.