4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride
TL;DR: 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride (CAS 170803-99-3) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxy-3-methylbut-1-ynyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Also Known As: 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride, 6-(3-hydroxy-3-methylbut-1-yn-1-yl)benzo[de]isochromene-1,3-dione, 10-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 6-(3-HYDROXY-3-METHYL-BUT-1-YNYL)-BENZO(DE)ISOCHROMENE-1,3-DIONE, 6-(3-hydroxy-3-methylbut-1-yn-1-yl)-1H,3H-benzo[de]isochromene-1,3-dione
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.2728 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 824.4399 |
Chemical Identifiers
| CAS Number | 170803-99-3 |
|---|---|
| SMILES | CC(C)(C#CC1=C2C=CC=C3C2=C(C=C1)C(=O)OC3=O)O |
Product Overview
4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride (CAS 170803-99-3), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 8-(3-hydroxy-3-methylbut-1-ynyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
Chemical Property Profile of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride
Property Insights of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride
The XLogP value of 2.2728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride. Following Lipinski's Rule of Five, 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride 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 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride?
The CAS number of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride is 170803-99-3.
What is the molecular formula of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride?
The molecular formula of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride is C17H12O4.
What is the molecular weight of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride?
The molecular weight of 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride is 280.07 g/mol.
Where can I buy 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride?
You can request a quote for 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyprop-2-yl-ethynyl)naphthalicanhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.