N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide
TL;DR: N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide (CAS 797774-64-2) is a chemical compound with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-bromo-6-oxopyran-3-carboxamide
Also Known As: N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide, N-benzyl-5-bromo-6-oxopyran-3-carboxamide
| Molecular Formula | C13H10BrNO3 |
|---|---|
| Molecular Weight | 306.98 g/mol |
| LogP | 2.3323 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.9844 |
| Heavy Atoms | 18 |
| Complexity | 607.1335 |
Chemical Identifiers
| CAS Number | 797774-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=COC(=O)C(=C2)Br |
Product Overview
N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide (CAS 797774-64-2), with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol. IUPAC: N-benzyl-5-bromo-6-oxopyran-3-carboxamide.
Chemical Property Profile of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide
Property Insights of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide
The XLogP value of 2.3323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide. With a topological polar surface area (TPSA) of 59.31 Ų, N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide has 1 hydrogen bond donor(s) and 3 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 N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide?
The CAS number of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide is 797774-64-2.
What is the molecular formula of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide?
The molecular formula of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide is C13H10BrNO3.
What is the molecular weight of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide?
The molecular weight of N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide is 306.98 g/mol.
Where can I buy N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide?
You can request a quote for N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-bromo-2-oxo-2H-pyran-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.