Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 379250-71-2) is a chemical compound with molecular formula C25H29NO3S and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(adamantane-1-carbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate, AF-399/40714860, ethyl 2-(adamantane-1-carbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-[(1-adamantylcarbonyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylate
| Molecular Formula | C25H29NO3S |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 6.05512 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.18683 |
| Heavy Atoms | 30 |
| Complexity | 942.4958 |
Chemical Identifiers
| CAS Number | 379250-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate (CAS 379250-71-2), with molecular formula C25H29NO3S and molecular weight 423.19 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate
The XLogP value of 6.05512 indicates that Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate 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-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate 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-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate is 379250-71-2.
What is the molecular formula of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate is C25H29NO3S.
What is the molecular weight of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate is 423.19 g/mol.
Where can I buy Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-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-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(adamantanylcarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.