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Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate
TL;DR: Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate (CAS 476463-97-5) is a chemical compound with molecular formula C16H13NO5S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate
Also Known As: IFLab1_002016, AB00668126-01, F0529-0493, methyl 3-(2-oxo-2H-chromene-3-amido)-4,5-dihydrothiophene-2-carboxylate, methyl 3-(3-coumarinylcarbonylamino)-4,5-dihydro-2-thenoate
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 2.0443 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 883.41473 |
Chemical Identifiers
| CAS Number | 476463-97-5 |
|---|---|
| SMILES | COC(=O)C1=C(CCS1)NC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate (CAS 476463-97-5), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate.
Chemical Property Profile of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate
Property Insights of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate
The XLogP value of 2.0443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate. Following Lipinski's Rule of Five, Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate 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 Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate?
The CAS number of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate is 476463-97-5.
What is the molecular formula of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate?
The molecular formula of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate is C16H13NO5S.
What is the molecular weight of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate?
The molecular weight of Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate is 331.05 g/mol.
Where can I buy Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate?
You can request a quote for Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-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-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2-oxochromene-3-carbonyl)amino]-2,3-dihydrothiophene-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.