2-氰基丙烯酸丙酯
TL;DR: 2-氰基丙烯酸丙酯 (CAS 6606-66-2) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基丙烯酸丙酯
propyl 2-cyanoprop-2-enoate
Also Known As: Propyl 2-cyanoacrylate, propyl cyanoacrylate, propyl 2-cyanoprop-2-enoate, Propyl2-cyanoacrylate, n-propyl 2-cyanoacrylate
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 6606-66-2 |
|---|---|
| SMILES | CCCOC(=O)C(=C)C#N |
| InChIKey | ZTYMNUBYYQNBFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基丙烯酸丙酯 (CAS 6606-66-2), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: propyl 2-cyanoprop-2-enoate.
Chemical Property Profile of 2-氰基丙烯酸丙酯
Property Insights of 2-氰基丙烯酸丙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基丙烯酸丙酯. With a topological polar surface area (TPSA) of 50.1 Ų, 2-氰基丙烯酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氰基丙烯酸丙酯 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 2-氰基丙烯酸丙酯?
The CAS number of 2-氰基丙烯酸丙酯 is 6606-66-2.
What is the molecular formula of 2-氰基丙烯酸丙酯?
The molecular formula of 2-氰基丙烯酸丙酯 is C7H9NO2.
What is the molecular weight of 2-氰基丙烯酸丙酯?
The molecular weight of 2-氰基丙烯酸丙酯 is 139.06 g/mol.
Where can I buy 2-氰基丙烯酸丙酯?
You can request a quote for 2-氰基丙烯酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基丙烯酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基丙烯酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.