![Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate structure](/static/products/4450/445037-64-9.webp)
Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate
TL;DR: Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate (CAS 445037-64-9) is a chemical compound with molecular formula C29H37NO3S and molecular weight 479.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate, ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate, ethyl 2-(2-adamantanylacetylamino)-4-[4-(tert-butyl)phenyl]thiophene-3-carboxy late, ethyl 4-(4-tert-butylphenyl)-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)amino]thiophene-3-carboxylate
| Molecular Formula | C29H37NO3S |
|---|---|
| Molecular Weight | 479.25 g/mol |
| LogP | 7.4343 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.24942 |
| Heavy Atoms | 34 |
| Complexity | 1040.5013 |
Chemical Identifiers
| CAS Number | 445037-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CC34CC5CC(C3)CC(C5)C4 |
Product Overview
Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate (CAS 445037-64-9), with molecular formula C29H37NO3S and molecular weight 479.25 g/mol. IUPAC: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate
Property Insights of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate
The XLogP value of 7.4343 indicates that Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate?
The CAS number of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate is 445037-64-9.
What is the molecular formula of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate is C29H37NO3S.
What is the molecular weight of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate is 479.25 g/mol.
Where can I buy Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(1-adamantylacetyl)amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.