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Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid
TL;DR: Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid (CAS 200712-25-0) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[f][1,3]benzodioxole-2-carboxylic acid
Also Known As: naphtho[2,3-d][1,3]dioxole-2-carboxylic acid, 2H-NAPHTHO[2,3-D][1,3]DIOXOLE-2-CARBOXYLIC ACID, benzo[f][1,3]benzodioxole-2-carboxylic acid, Naphtho(2,3-D)-1,3-Dioxolene-2-Carboxylic Acid, naphtho[2,3-d]-1,3-dioxole-2-carboxylic acid
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 200712-25-0 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)OC(O3)C(=O)O |
| InChIKey | VVXREWCOUSRUAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid (CAS 200712-25-0), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: benzo[f][1,3]benzodioxole-2-carboxylic acid.
Chemical Property Profile of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid
Property Insights of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphtho[2,3-d][1,3]dioxole-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 Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid?
The CAS number of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid is 200712-25-0.
What is the molecular formula of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid?
The molecular formula of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid is C12H8O4.
What is the molecular weight of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid?
The molecular weight of Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid is 216.04 g/mol.
Where can I buy Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid?
You can request a quote for Naphtho[2,3-d][1,3]dioxole-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 Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Naphtho[2,3-d][1,3]dioxole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.