![4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone structure](/static/products/3053/305368-08-5.webp)
4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone
TL;DR: 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone (CAS 305368-08-5) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methylsulfanylanilino)methyl]-2H-phthalazin-1-one
Also Known As: 4-({[3-(methylsulfanyl)phenyl]amino}methyl)-1,2-dihydrophthalazin-1-one, 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone, 2C-022, 4-[(3-methylsulfanylanilino)methyl]-2H-phthalazin-1-one, 4-((3-(Methylsulfanyl)anilino)methyl)-1(2H)-phthalazinone
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.2571 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 828.86505 |
Chemical Identifiers
| CAS Number | 305368-08-5 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone (CAS 305368-08-5), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 4-[(3-methylsulfanylanilino)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone
Property Insights of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone
The XLogP value of 3.2571 indicates that 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone has 2 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-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone?
The CAS number of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone is 305368-08-5.
What is the molecular formula of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone?
The molecular formula of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone is C16H15N3OS.
What is the molecular weight of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone?
The molecular weight of 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone is 297.09 g/mol.
Where can I buy 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone?
You can request a quote for 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(methylsulfanyl)anilino]methyl}-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.