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Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
TL;DR: Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate (CAS 35202-58-5) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
Also Known As: N-dansyl-1,6-hexanediamine, Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate, ethyl 2,2-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate, 6-Azaspiro[2.5]octa-4, 2,2-dimethyl-, ethyl ester, 2,2-Dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylic acid ethyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 35202-58-5 |
|---|---|
| SMILES | CCOC(=O)N1C=CC2(CC2(C)C)C=C1 |
| InChIKey | IAZOWSWWBGTDSI-UHFFFAOYSA-N |
Product Overview
Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate (CAS 35202-58-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2,2-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate.
Chemical Property Profile of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
Property Insights of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate 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 Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
The CAS number of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate is 35202-58-5.
What is the molecular formula of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
The molecular formula of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate is C12H17NO2.
What is the molecular weight of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
The molecular weight of Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate is 207.13 g/mol.
Where can I buy Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
You can request a quote for Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.