![2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate structure](/static/products/4450/445037-97-8.webp)
2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 445037-97-8) is a chemical compound with molecular formula C22H29NO5S and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-methyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate, 2-O-ethyl 4-O-methyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-methyl 5-(2-(adamantan-1-yl)acetamido)-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-methyl 3-methyl-5-[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)amino]thiophene-2,4-dicarboxylate, 2-ETHYL 4-METHYL 5-{[2-(1-ADAMANTYL)ACETYL]AMINO}-3-METHYL-2,4-THIOPHENEDICARBOXYLATE
| Molecular Formula | C22H29NO5S |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 4.56482 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.17664 |
| Heavy Atoms | 29 |
| Complexity | 807.2166 |
Chemical Identifiers
| CAS Number | 445037-97-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC)C |
Product Overview
2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 445037-97-8), with molecular formula C22H29NO5S and molecular weight 419.18 g/mol. IUPAC: 2-O-ethyl 4-O-methyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.56482 indicates that 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 6 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 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 445037-97-8.
What is the molecular formula of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate is C22H29NO5S.
What is the molecular weight of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 419.18 g/mol.
Where can I buy 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl 4-methyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.