![2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate structure](/static/products/4960/496017-06-2.webp)
2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
TL;DR: 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate (CAS 496017-06-2) is a chemical compound with molecular formula C21H19NO7S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Also Known As: 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate, Propan-2-yl Methyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate, 2-methyl 4-propan-2-yl 3-methyl-5-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-2,4-dicarboxylate, methyl 3-methyl-4-[(methylethyl)oxycarbonyl]-5-[(2-oxochromen-3-yl)carbonylami no]thiophene-2-carboxylate
| Molecular Formula | C21H19NO7S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 3.76702 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.08823 |
| Heavy Atoms | 30 |
| Complexity | 1205.7755 |
Chemical Identifiers
| CAS Number | 496017-06-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC |
Product Overview
2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate (CAS 496017-06-2), with molecular formula C21H19NO7S and molecular weight 429.09 g/mol. IUPAC: 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Property Insights of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
The XLogP value of 3.76702 indicates that 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The CAS number of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is 496017-06-2.
What is the molecular formula of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The molecular formula of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is C21H19NO7S.
What is the molecular weight of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The molecular weight of 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is 429.09 g/mol.
Where can I buy 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
You can request a quote for 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-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 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-O-methyl 4-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.