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N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide
TL;DR: N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide (CAS 477556-06-2) is a chemical compound with molecular formula C18H11NO3S and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide
Also Known As: N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide, N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide, N-(1-benzothiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide, F0882-0527
| Molecular Formula | C18H11NO3S |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 4.26 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.04596 |
| Heavy Atoms | 23 |
| Complexity | 1094.0233 |
Chemical Identifiers
| CAS Number | 477556-06-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NC3=CC4=C(C=C3)SC=C4 |
Product Overview
N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide (CAS 477556-06-2), with molecular formula C18H11NO3S and molecular weight 321.05 g/mol. IUPAC: N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide.
Chemical Property Profile of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide
Property Insights of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide
The XLogP value of 4.26 indicates that N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide has 1 hydrogen bond donor(s) and 4 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-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide?
The CAS number of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide is 477556-06-2.
What is the molecular formula of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide?
The molecular formula of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide is C18H11NO3S.
What is the molecular weight of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide?
The molecular weight of N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide is 321.05 g/mol.
Where can I buy N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide?
You can request a quote for N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.