![2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate structure](/static/products/4450/445037-98-9.webp)
2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 445037-98-9) is a chemical compound with molecular formula C23H31NO5S and molecular weight 433.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-propan-2-yl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate, 2-O-ethyl 4-O-propan-2-yl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-isopropyl 5-(adamantane-1-carboxamido)-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-propan-2-yl 3-methyl-5-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]thiophene-2,4-dicarboxylate
| Molecular Formula | C23H31NO5S |
|---|---|
| Molecular Weight | 433.19 g/mol |
| LogP | 4.95332 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.1923 |
| Heavy Atoms | 30 |
| Complexity | 835.90546 |
Chemical Identifiers
| CAS Number | 445037-98-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC(C)C)C |
Product Overview
2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 445037-98-9), with molecular formula C23H31NO5S and molecular weight 433.19 g/mol. IUPAC: 2-O-ethyl 4-O-propan-2-yl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.95332 indicates that 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)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-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)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-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 445037-98-9.
What is the molecular formula of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is C23H31NO5S.
What is the molecular weight of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 433.19 g/mol.
Where can I buy 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)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-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl 4-isopropyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.