![ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate structure](/static/products/306/306727-46-8.png)
ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate
TL;DR: ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate (CAS 306727-46-8) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate
Also Known As: ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate, ethyl 3-(2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[3,4-d][1,2,3]triazine-7-carboxylate, ethyl 5-methyl-4-oxo-3-[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-3,4-dihydrothieno[3,4-d][1,2,3]triazine-7-carboxylate
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.12362 |
| Topological Polar Surface Area | 91.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 1034.5118 |
Chemical Identifiers
| CAS Number | 306727-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(N=N2)CC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate (CAS 306727-46-8), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate.
Chemical Property Profile of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate
Property Insights of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate
The XLogP value of 3.12362 indicates that ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate has 0 hydrogen bond donor(s) and 7 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 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate?
The CAS number of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate is 306727-46-8.
What is the molecular formula of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate?
The molecular formula of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate is C21H25N3O4S.
What is the molecular weight of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate?
The molecular weight of ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate is 415.16 g/mol.
Where can I buy ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate?
You can request a quote for ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-4-oxothieno[3,4-d]triazine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.