Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate
TL;DR: Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate (CAS 887575-45-3) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate
Also Known As: ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate, ethyl 2-cyano-1,2-dihydronaphthalenecarboxylate
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.49988 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 499.18884 |
Chemical Identifiers
| CAS Number | 887575-45-3 |
|---|---|
| SMILES | CCOC(=O)C1C(C=CC2=CC=CC=C12)C#N |
Product Overview
Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate (CAS 887575-45-3), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate.
Chemical Property Profile of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate
Property Insights of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate
The XLogP value of 2.49988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate 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 Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate?
The CAS number of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate is 887575-45-3.
What is the molecular formula of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate?
The molecular formula of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate is C14H13NO2.
What is the molecular weight of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate?
The molecular weight of Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate is 227.09 g/mol.
Where can I buy Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate?
You can request a quote for Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-1,2-dihydronaphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.