2-氰基-3-乙氧基-2-丙烯酸
TL;DR: 2-氰基-3-乙氧基-2-丙烯酸 (CAS 71648-24-3) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-3-乙氧基-2-丙烯酸
2-cyano-3-ethoxyprop-2-enoic acid
Also Known As: 2-cyano-3-ethoxyprop-2-enoic acid, 2-Cyano-3-ethoxyacrylic acid, Ethoxymethylenecyanoacetic acid, 2-cyano-3-ethoxy-2-propenoic acid, 2-Propenoic acid,2-cyano-3-ethoxy-
| Molecular Formula | C6H7NO3 |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.04259 |
| Heavy Atoms | 10 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 71648-24-3 |
|---|---|
| SMILES | CCOC=C(C#N)C(=O)O |
| InChIKey | AVAQZFUVMGMHSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基-3-乙氧基-2-丙烯酸 (CAS 71648-24-3), with molecular formula C6H7NO3 and molecular weight 141.04 g/mol. IUPAC: 2-cyano-3-ethoxyprop-2-enoic acid.
Chemical Property Profile of 2-氰基-3-乙氧基-2-丙烯酸
Property Insights of 2-氰基-3-乙氧基-2-丙烯酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基-3-乙氧基-2-丙烯酸. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-3-乙氧基-2-丙烯酸. Following Lipinski's Rule of Five, 2-氰基-3-乙氧基-2-丙烯酸 has 1 hydrogen bond donor(s) and 4 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-3-乙氧基-2-丙烯酸?
The CAS number of 2-氰基-3-乙氧基-2-丙烯酸 is 71648-24-3.
What is the molecular formula of 2-氰基-3-乙氧基-2-丙烯酸?
The molecular formula of 2-氰基-3-乙氧基-2-丙烯酸 is C6H7NO3.
What is the molecular weight of 2-氰基-3-乙氧基-2-丙烯酸?
The molecular weight of 2-氰基-3-乙氧基-2-丙烯酸 is 141.04 g/mol.
Where can I buy 2-氰基-3-乙氧基-2-丙烯酸?
You can request a quote for 2-氰基-3-乙氧基-2-丙烯酸 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-3-乙氧基-2-丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-3-乙氧基-2-丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.