Benzyl 2-cyanoacetate
TL;DR: Benzyl 2-cyanoacetate (CAS 1448-74-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyanoacetate
Also Known As: Benzyl cyanoacetate, benzyl 2-cyanoacetate, benzyl-cyanoacetate, BENZYLCYANOACETATE, Cyanoacetic acid benzyl ester
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 1448-74-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC#N |
| InChIKey | RCUIWQWWDLZNMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-cyanoacetate (CAS 1448-74-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: benzyl 2-cyanoacetate.
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
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 175.06 g/mol.
Where can I buy Benzyl 2-cyanoacetate?
You can request a quote for Benzyl 2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.