戊基氰基乙酸酯
TL;DR: 戊基氰基乙酸酯 (CAS 17686-39-4) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊基氰基乙酸酯
pentyl 2-cyanoacetate
Also Known As: Pentyl cyanoacetate, pentyl 2-cyanoacetate, AMYL CYANO ACETATE, cyanoacetic acid pentyl ester, Cyan-essigsaeure-pentylester
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 17686-39-4 |
|---|---|
| SMILES | CCCCCOC(=O)CC#N |
| InChIKey | OCJMNSVWIYIHRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊基氰基乙酸酯 (CAS 17686-39-4), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: pentyl 2-cyanoacetate.
Chemical Property Profile of 戊基氰基乙酸酯
Property Insights of 戊基氰基乙酸酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊基氰基乙酸酯. With a topological polar surface area (TPSA) of 50.1 Ų, 戊基氰基乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊基氰基乙酸酯 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 戊基氰基乙酸酯?
The CAS number of 戊基氰基乙酸酯 is 17686-39-4.
What is the molecular formula of 戊基氰基乙酸酯?
The molecular formula of 戊基氰基乙酸酯 is C8H13NO2.
What is the molecular weight of 戊基氰基乙酸酯?
The molecular weight of 戊基氰基乙酸酯 is 155.09 g/mol.
Where can I buy 戊基氰基乙酸酯?
You can request a quote for 戊基氰基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊基氰基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 戊基氰基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.