![4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate structure](/static/products/5142/514217-69-7.webp)
4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
TL;DR: 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate (CAS 514217-69-7) is a chemical compound with molecular formula C25H26N2O9S and molecular weight 530.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
Also Known As: 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate, 4-tert-butyl 2-ethyl 3-methyl-5-[({5-[(2-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]thiophene-2,4-dicarboxylate, 4-(TERT-BUTYL) 2-ETHYL 3-METHYL-5-[({5-[(2-NITROPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]-2,4-THIOPHENEDICARBOXYLATE, 4-tert-butyl 2-ethyl 3-methyl-5-(5-((2-nitrophenoxy)methyl)furan-2-carboxamido)thiophene-2,4-dicarboxylate, 4-tert-butyl 2-ethyl 5-{[5-({2-nitrophenoxy}methyl)-2-furoyl]amino}-3-methyl-2,4-thiophenedicarboxylate
| Molecular Formula | C25H26N2O9S |
|---|---|
| Molecular Weight | 530.14 g/mol |
| LogP | 5.52102 |
| Topological Polar Surface Area | 147.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.1359 |
| Heavy Atoms | 37 |
| Complexity | 1334.1229 |
Chemical Identifiers
| CAS Number | 514217-69-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-])C(=O)OC(C)(C)C)C |
Product Overview
4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate (CAS 514217-69-7), with molecular formula C25H26N2O9S and molecular weight 530.14 g/mol. IUPAC: 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
Property Insights of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
The XLogP value of 5.52102 indicates that 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.21 Ų indicates high polarity, suggesting 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?
The CAS number of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate is 514217-69-7.
What is the molecular formula of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?
The molecular formula of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate is C25H26N2O9S.
What is the molecular weight of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?
The molecular weight of 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate is 530.14 g/mol.
Where can I buy 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?
You can request a quote for 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-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 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-tert-butyl 2-O-ethyl 3-methyl-5-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.