Naphthalic anhydride
TL;DR: Naphthalic anhydride (CAS 81-84-5) is a chemical compound with molecular formula C12H6O3 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Also Known As: 1,8-Naphthalic anhydride, Naphthalic anhydride, Protect, Benzo[de]isochromene-1,3-dione, Pakarli
| Molecular Formula | C12H6O3 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0317 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| Melting Point | 273-274 °C |
| Solubility | Slightly sol in acetic acid; very soluble in ether and alcohol. |
| Flash Point | 272 °C |
| Vapor Pressure | 0.00000041 [mmHg] |
Chemical Identifiers
| CAS Number | 81-84-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)OC(=O)C3=CC=C2 |
| InChIKey | GRSMWKLPSNHDHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalic anhydride (CAS 81-84-5), with molecular formula C12H6O3 and molecular weight 198.03 g/mol. IUPAC: 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione.
Chemical Property Profile of Naphthalic anhydride
Property Insights of Naphthalic anhydride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, Naphthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalic anhydride has 0 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 Naphthalic anhydride?
The CAS number of Naphthalic anhydride is 81-84-5.
What is the molecular formula of Naphthalic anhydride?
The molecular formula of Naphthalic anhydride is C12H6O3.
What is the molecular weight of Naphthalic anhydride?
The molecular weight of Naphthalic anhydride is 198.03 g/mol.
Where can I buy Naphthalic anhydride?
You can request a quote for Naphthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Naphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.