2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 445023-26-7) is a chemical compound with molecular formula C18H25NO5S and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate, 2-tert-butyl 4-ethyl 5-[(cyclobutylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate, 2-tert-butyl 4-ethyl 5-[(cyclobutylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate, tert-butyl 5-(cyclobutylcarbonylamino)-4-(ethoxycarbonyl)-3-methylthiophene-2- carboxylate
| Molecular Formula | C18H25NO5S |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.92712 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.14536 |
| Heavy Atoms | 25 |
| Complexity | 682.3739 |
Chemical Identifiers
| CAS Number | 445023-26-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2CCC2 |
Product Overview
2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 445023-26-7), with molecular formula C18H25NO5S and molecular weight 367.15 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.92712 indicates that 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate 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-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate 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-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate is 445023-26-7.
What is the molecular formula of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate is C18H25NO5S.
What is the molecular weight of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate is 367.15 g/mol.
Where can I buy 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-O-tert-butyl 4-O-ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.