3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid
TL;DR: 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid (CAS 5762-28-7) is a chemical compound with molecular formula C13H8O4 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2-carboxylic acid
Also Known As: 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid, 1H,3H-Naphtho(1,8-cd)pyran-1-carboxylic acid, 3-oxo-, 3-Oxo-1H,3H-naphtho[1,8-cd]pyran-1-carboxylic acid
| Molecular Formula | C13H8O4 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.1359 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04225 |
| Heavy Atoms | 17 |
| Complexity | 639.65955 |
Chemical Identifiers
| CAS Number | 5762-28-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(OC(=O)C3=CC=C2)C(=O)O |
Product Overview
3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid (CAS 5762-28-7), with molecular formula C13H8O4 and molecular weight 228.04 g/mol. IUPAC: 4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2-carboxylic acid.
Chemical Property Profile of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid
Property Insights of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid
The XLogP value of 2.1359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid. Following Lipinski's Rule of Five, 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid 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 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid?
The CAS number of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid is 5762-28-7.
What is the molecular formula of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid?
The molecular formula of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid is C13H8O4.
What is the molecular weight of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid?
The molecular weight of 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid is 228.04 g/mol.
Where can I buy 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid?
You can request a quote for 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-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-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-1H,3H-naphtho(1,8-cd)pyran-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.