peri-Naphthalide
TL;DR: peri-Naphthalide (CAS 5465-68-9) is a chemical compound with molecular formula C12H8O2 and molecular weight 184.05 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-pentaen-2-one
Also Known As: Naphthalide, peri-Naphthalide, Naphthalid, Benzo[de]isochromen-1(3H)-one, Perinaphthalide
| Molecular Formula | C12H8O2 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.05243 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 5465-68-9 |
|---|---|
| SMILES | C1C2=CC=CC3=C2C(=CC=C3)C(=O)O1 |
| InChIKey | UKOVZLWSUZKTRL-UHFFFAOYSA-N |
Product Overview
peri-Naphthalide (CAS 5465-68-9), with molecular formula C12H8O2 and molecular weight 184.05 g/mol. IUPAC: 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one.
Chemical Property Profile of peri-Naphthalide
Property Insights of peri-Naphthalide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for peri-Naphthalide. With a topological polar surface area (TPSA) of 26.3 Ų, peri-Naphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, peri-Naphthalide has 0 hydrogen bond donor(s) and 2 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 peri-Naphthalide?
The CAS number of peri-Naphthalide is 5465-68-9.
What is the molecular formula of peri-Naphthalide?
The molecular formula of peri-Naphthalide is C12H8O2.
What is the molecular weight of peri-Naphthalide?
The molecular weight of peri-Naphthalide is 184.05 g/mol.
Where can I buy peri-Naphthalide?
You can request a quote for peri-Naphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for peri-Naphthalide?
Yes, KEHONG BIO provides custom synthesis services for peri-Naphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.