2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
TL;DR: 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide (CAS 1846-90-8) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-oxochromene-3-carboxamide
Also Known As: 3-(Benzylcarbamoyl)coumarin, Coumarin, 3-(benzylcarbamoyl)-, N-benzyl-2-oxo-2H-chromene-3-carboxamide, 3-carboxamido coumarin, 36, N-Benzyl-3-cumarincarboxamide
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
| Solubility | 2.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1846-90-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | BEUWFLKNYNXOJA-UHFFFAOYSA-N |
Product Overview
2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide (CAS 1846-90-8), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: N-benzyl-2-oxochromene-3-carboxamide.
Chemical Property Profile of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
Property Insights of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
The XLogP value of 3.4 indicates that 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-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 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide?
The CAS number of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide is 1846-90-8.
What is the molecular formula of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide?
The molecular formula of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide is C17H13NO3.
What is the molecular weight of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide?
The molecular weight of 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide is 279.09 g/mol.
Where can I buy 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide?
You can request a quote for 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.