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indeno[1,2,3-de]phthalazin-3(2H)-one
TL;DR: indeno[1,2,3-de]phthalazin-3(2H)-one (CAS 36999-81-2) is a chemical compound with molecular formula C14H8N2O and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-4-one
Also Known As: indeno[1,2,3-de]phthalazin-3-ol, indeno[1,2,3-de]phthalazin-3(2H)-one, indeno[1,2,3-de]phthalazin-3-one, BAS 01416387, 2H-Indeno[1,2,3-de]phthalazin-3-one
| Molecular Formula | C14H8N2O |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 2.5705 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.06366 |
| Heavy Atoms | 17 |
| Complexity | 788.5603 |
Chemical Identifiers
| CAS Number | 36999-81-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C2=NNC4=O |
Product Overview
indeno[1,2,3-de]phthalazin-3(2H)-one (CAS 36999-81-2), with molecular formula C14H8N2O and molecular weight 220.06 g/mol. IUPAC: 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-4-one.
Chemical Property Profile of indeno[1,2,3-de]phthalazin-3(2H)-one
Property Insights of indeno[1,2,3-de]phthalazin-3(2H)-one
The XLogP value of 2.5705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for indeno[1,2,3-de]phthalazin-3(2H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, indeno[1,2,3-de]phthalazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, indeno[1,2,3-de]phthalazin-3(2H)-one has 1 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 indeno[1,2,3-de]phthalazin-3(2H)-one?
The CAS number of indeno[1,2,3-de]phthalazin-3(2H)-one is 36999-81-2.
What is the molecular formula of indeno[1,2,3-de]phthalazin-3(2H)-one?
The molecular formula of indeno[1,2,3-de]phthalazin-3(2H)-one is C14H8N2O.
What is the molecular weight of indeno[1,2,3-de]phthalazin-3(2H)-one?
The molecular weight of indeno[1,2,3-de]phthalazin-3(2H)-one is 220.06 g/mol.
Where can I buy indeno[1,2,3-de]phthalazin-3(2H)-one?
You can request a quote for indeno[1,2,3-de]phthalazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for indeno[1,2,3-de]phthalazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for indeno[1,2,3-de]phthalazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.