hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
TL;DR: hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate (CAS 439141-63-6) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
Also Known As: hexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate, hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 439141-63-6 |
|---|---|
| SMILES | CCCCCCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1 |
| InChIKey | WEJGELKFGRHMBP-UHFFFAOYSA-N |
Product Overview
hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate (CAS 439141-63-6), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: hexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate.
Chemical Property Profile of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
Property Insights of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate. Following Lipinski's Rule of Five, hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate 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 hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate?
The CAS number of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate is 439141-63-6.
What is the molecular formula of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate?
The molecular formula of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate is C17H22N2O4.
What is the molecular weight of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate?
The molecular weight of hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate is 318.16 g/mol.
Where can I buy hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate?
You can request a quote for hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.