1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester
TL;DR: 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester (CAS 39996-25-3) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
Also Known As: 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester, 1,4-Dihydro-1,4-epiminonaphthalene-9-carboxylic acid ethyl ester, 11-Azatricyclo[6.2.1.0(2,7)]undeca-2,4,6,9-tetraene-11-carboxylic acid, ethyl ester, Naphthalen-1,4-imine-9-carboxylic acid, 1,4-dihydro-, ethyl ester, ethyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.8107 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 433.75534 |
Chemical Identifiers
| CAS Number | 39996-25-3 |
|---|---|
| SMILES | CCOC(=O)N1C2C=CC1C3=CC=CC=C23 |
Product Overview
1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester (CAS 39996-25-3), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: ethyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate.
Chemical Property Profile of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester
Property Insights of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester
The XLogP value of 2.8107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 2 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 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester?
The CAS number of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester is 39996-25-3.
What is the molecular formula of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester?
The molecular formula of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester is C13H13NO2.
What is the molecular weight of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester?
The molecular weight of 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester is 215.09 g/mol.
Where can I buy 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester?
You can request a quote for 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Epimino-1,4-dihydronaphthalene-9-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.