![methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate structure](/static/products/5158/515872-94-3.webp)
methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
TL;DR: methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate (CAS 515872-94-3) is a chemical compound with molecular formula C28H27NO6S and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate, methyl 4-(4-sec-butylphenyl)-2-{[(8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}-5-methyl-3-thiophenecarboxylate, methyl 4-[4-(butan-2-yl)phenyl]-2-{[(8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}-5-methylthiophene-3-carboxylate, methyl 4-(4-(sec-butyl)phenyl)-2-(8-methoxy-2-oxo-2H-chromene-3-carboxamido)-5-methylthiophene-3-carboxylate
| Molecular Formula | C28H27NO6S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 6.39092 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.1559 |
| Heavy Atoms | 36 |
| Complexity | 1499.2462 |
Chemical Identifiers
| CAS Number | 515872-94-3 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)C |
Product Overview
methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate (CAS 515872-94-3), with molecular formula C28H27NO6S and molecular weight 505.16 g/mol. IUPAC: methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
Property Insights of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
The XLogP value of 6.39092 indicates that methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The CAS number of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate is 515872-94-3.
What is the molecular formula of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate is C28H27NO6S.
What is the molecular weight of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate is 505.16 g/mol.
Where can I buy methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-butan-2-ylphenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.