methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate
TL;DR: methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate (CAS 799830-47-0) is a chemical compound with molecular formula C12H8BrNO5S and molecular weight 356.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5-bromo-6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
Also Known As: methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate, methyl 3-[(5-bromo-6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate, methyl 3-{[(3-bromo-2-oxo-2H-pyran-5-yl)carbonyl]amino}thiophene-2-carboxylate
| Molecular Formula | C12H8BrNO5S |
|---|---|
| Molecular Weight | 356.93 g/mol |
| LogP | 2.5027 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.93066 |
| Heavy Atoms | 20 |
| Complexity | 720.63293 |
Chemical Identifiers
| CAS Number | 799830-47-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2=COC(=O)C(=C2)Br |
Product Overview
methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate (CAS 799830-47-0), with molecular formula C12H8BrNO5S and molecular weight 356.93 g/mol. IUPAC: methyl 3-[(5-bromo-6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate
Property Insights of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate
The XLogP value of 2.5027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-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 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate?
The CAS number of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate is 799830-47-0.
What is the molecular formula of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate?
The molecular formula of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate is C12H8BrNO5S.
What is the molecular weight of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate?
The molecular weight of methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate is 356.93 g/mol.
Where can I buy methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate?
You can request a quote for methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(3-bromo-2-oxo-2H-pyran-5-carboxamido)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.