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Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate
TL;DR: Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate (CAS 625375-66-8) is a chemical compound with molecular formula C23H29N3O3 and molecular weight 395.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(adamantane-1-carbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate
Also Known As: BAS 06900190, ethyl 1-(adamantane-1-carbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate, ethyl 2-((1R,3s)-adamantane-1-carbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate, ETHYL 2-(ADAMANTANE-1-CARBONYL)-1,1-DICYANO-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLATE, ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate
| Molecular Formula | C23H29N3O3 |
|---|---|
| Molecular Weight | 395.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.2209 |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 625375-66-8 |
|---|---|
| SMILES | CCOC(=O)N1CCC2(CC1)C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4 |
| InChIKey | ZURROFZOBKEEGP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate (CAS 625375-66-8), with molecular formula C23H29N3O3 and molecular weight 395.22 g/mol. IUPAC: ethyl 1-(adamantane-1-carbonyl)-2,2-dicyano-6-azaspiro[2.5]octane-6-carboxylate.
Chemical Property Profile of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate
Property Insights of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate has 0 hydrogen bond donor(s) and 5 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-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate?
The CAS number of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate is 625375-66-8.
What is the molecular formula of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate?
The molecular formula of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate is C23H29N3O3.
What is the molecular weight of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate?
The molecular weight of Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate is 395.22 g/mol.
Where can I buy Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate?
You can request a quote for Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-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 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(adamantanylcarbonyl)-1,1-dicyano-6-azaspiro[2.5]octane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.