1-Benzyl-4-(benzylsulfanyl)phthalazine
TL;DR: 1-Benzyl-4-(benzylsulfanyl)phthalazine (CAS 338404-39-0) is a chemical compound with molecular formula C22H18N2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-benzylsulfanylphthalazine
Also Known As: 1-benzyl-4-(benzylsulfanyl)phthalazine, 1-benzyl-4-benzylsulfanylphthalazine, 3E-075
| Molecular Formula | C22H18N2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 5.5129 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.11908 |
| Heavy Atoms | 25 |
| Complexity | 968.8223 |
Chemical Identifiers
| CAS Number | 338404-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SCC4=CC=CC=C4 |
Product Overview
1-Benzyl-4-(benzylsulfanyl)phthalazine (CAS 338404-39-0), with molecular formula C22H18N2S and molecular weight 342.12 g/mol. IUPAC: 1-benzyl-4-benzylsulfanylphthalazine.
Chemical Property Profile of 1-Benzyl-4-(benzylsulfanyl)phthalazine
Property Insights of 1-Benzyl-4-(benzylsulfanyl)phthalazine
The XLogP value of 5.5129 indicates that 1-Benzyl-4-(benzylsulfanyl)phthalazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 1-Benzyl-4-(benzylsulfanyl)phthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(benzylsulfanyl)phthalazine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4-(benzylsulfanyl)phthalazine?
The CAS number of 1-Benzyl-4-(benzylsulfanyl)phthalazine is 338404-39-0.
What is the molecular formula of 1-Benzyl-4-(benzylsulfanyl)phthalazine?
The molecular formula of 1-Benzyl-4-(benzylsulfanyl)phthalazine is C22H18N2S.
What is the molecular weight of 1-Benzyl-4-(benzylsulfanyl)phthalazine?
The molecular weight of 1-Benzyl-4-(benzylsulfanyl)phthalazine is 342.12 g/mol.
Where can I buy 1-Benzyl-4-(benzylsulfanyl)phthalazine?
You can request a quote for 1-Benzyl-4-(benzylsulfanyl)phthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(benzylsulfanyl)phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(benzylsulfanyl)phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.