Benzyl 2-cyanoacetate
TL;DR: Benzyl 2-cyanoacetate (CAS 1448-74-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-cyanoacetate
Also Known As: Benzyl cyanoacetate, benzyl 2-cyanoacetate, benzyl-cyanoacetate, BENZYLCYANOACETATE, Cyanoacetic acid benzyl ester
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.06332 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.06332 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)CC#N |
| InChIKey | RCUIWQWWDLZNMS-UHFFFAOYSA-N |
Product Description
Applications: Benzyl 2-cyanoacetate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzyl 2-cyanoacetate (CAS 1448-74-4) is a pharmaceutical intermediate with the molecular formula C10H9NO2 and a molecular weight of 175.06 g/mol. Synonyms include Benzyl cyanoacetate and benzyl 2-cyanoacetate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzyl 2-cyanoacetate
Property Insights of Benzyl 2-cyanoacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-cyanoacetate. With a topological polar surface area (TPSA) of 50.1 Ų, Benzyl 2-cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-cyanoacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl 2-cyanoacetate?
The CAS number of Benzyl 2-cyanoacetate is 1448-74-4.
What is the molecular formula of Benzyl 2-cyanoacetate?
The molecular formula of Benzyl 2-cyanoacetate is C10H9NO2.
What is the molecular weight of Benzyl 2-cyanoacetate?
The molecular weight of Benzyl 2-cyanoacetate is 175.06332 g/mol.
What are the applications of Benzyl 2-cyanoacetate?
Benzyl 2-cyanoacetate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzyl 2-cyanoacetate?
You can request a quote for Benzyl 2-cyanoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 2-cyanoacetate?
Yes, CoreyChem provides custom synthesis services for Benzyl 2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.