4-butoxy-2H-phthalazin-1-one
TL;DR: 4-butoxy-2H-phthalazin-1-one (CAS 7403-78-3) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-2H-phthalazin-1-one
Also Known As: 4-butoxy-2H-phthalazin-1-one, 1(2H)-Phthalazinone, 4-butoxy-, 4-Butoxyphthalazin-1(2H)-one
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 7403-78-3 |
|---|---|
| SMILES | CCCCOC1=NNC(=O)C2=CC=CC=C21 |
| InChIKey | HWUMLSXXLDYRQI-UHFFFAOYSA-N |
Product Overview
4-butoxy-2H-phthalazin-1-one (CAS 7403-78-3), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 4-butoxy-2H-phthalazin-1-one.
Chemical Property Profile of 4-butoxy-2H-phthalazin-1-one
Property Insights of 4-butoxy-2H-phthalazin-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butoxy-2H-phthalazin-1-one. With a topological polar surface area (TPSA) of 50.7 Ų, 4-butoxy-2H-phthalazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butoxy-2H-phthalazin-1-one has 1 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 4-butoxy-2H-phthalazin-1-one?
The CAS number of 4-butoxy-2H-phthalazin-1-one is 7403-78-3.
What is the molecular formula of 4-butoxy-2H-phthalazin-1-one?
The molecular formula of 4-butoxy-2H-phthalazin-1-one is C12H14N2O2.
What is the molecular weight of 4-butoxy-2H-phthalazin-1-one?
The molecular weight of 4-butoxy-2H-phthalazin-1-one is 218.11 g/mol.
Where can I buy 4-butoxy-2H-phthalazin-1-one?
You can request a quote for 4-butoxy-2H-phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butoxy-2H-phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-2H-phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.