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3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid
TL;DR: 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid (CAS 4361-00-6) is a chemical compound with molecular formula C14H8O4 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobenzo[f]chromene-2-carboxylic acid
Also Known As: 3-Oxo-3H-benzo[f]chromene-2-carboxylic acid, 3-oxobenzo[f]chromene-2-carboxylic acid, TimTec1_006717, AURORA KA-3708, oxobenzofchromenecarboxylicacid
| Molecular Formula | C14H8O4 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.04225 |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 4361-00-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)O |
| InChIKey | RMHHFZIWCLXRTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid (CAS 4361-00-6), with molecular formula C14H8O4 and molecular weight 240.04 g/mol. IUPAC: 3-oxobenzo[f]chromene-2-carboxylic acid.
Chemical Property Profile of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid
Property Insights of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid
The XLogP value of 3.4 indicates that 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid 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 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid?
The CAS number of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid is 4361-00-6.
What is the molecular formula of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid?
The molecular formula of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid is C14H8O4.
What is the molecular weight of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid?
The molecular weight of 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid is 240.04 g/mol.
Where can I buy 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid?
You can request a quote for 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.