1-Butylsulfanyl-4-p-tolyl-phthalazine
TL;DR: 1-Butylsulfanyl-4-p-tolyl-phthalazine (CAS 842973-32-4) is a chemical compound with molecular formula C19H20N2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanyl-4-(4-methylphenyl)phthalazine
Also Known As: 1-Butylsulfanyl-4-p-tolyl-phthalazine, 1-(butylthio)-4-(p-tolyl)phthalazine, 1-butylsulfanyl-4-(4-methylphenyl)phthalazine, 1-(butylsulfanyl)-4-(4-methylphenyl)phthalazine, REGID_for_CID_6407380
| Molecular Formula | C19H20N2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 5.49742 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1347 |
| Heavy Atoms | 22 |
| Complexity | 765.9921 |
Chemical Identifiers
| CAS Number | 842973-32-4 |
|---|---|
| SMILES | CCCCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C |
Product Overview
1-Butylsulfanyl-4-p-tolyl-phthalazine (CAS 842973-32-4), with molecular formula C19H20N2S and molecular weight 308.13 g/mol. IUPAC: 1-butylsulfanyl-4-(4-methylphenyl)phthalazine.
Chemical Property Profile of 1-Butylsulfanyl-4-p-tolyl-phthalazine
Property Insights of 1-Butylsulfanyl-4-p-tolyl-phthalazine
The XLogP value of 5.49742 indicates that 1-Butylsulfanyl-4-p-tolyl-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-Butylsulfanyl-4-p-tolyl-phthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylsulfanyl-4-p-tolyl-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-Butylsulfanyl-4-p-tolyl-phthalazine?
The CAS number of 1-Butylsulfanyl-4-p-tolyl-phthalazine is 842973-32-4.
What is the molecular formula of 1-Butylsulfanyl-4-p-tolyl-phthalazine?
The molecular formula of 1-Butylsulfanyl-4-p-tolyl-phthalazine is C19H20N2S.
What is the molecular weight of 1-Butylsulfanyl-4-p-tolyl-phthalazine?
The molecular weight of 1-Butylsulfanyl-4-p-tolyl-phthalazine is 308.13 g/mol.
Where can I buy 1-Butylsulfanyl-4-p-tolyl-phthalazine?
You can request a quote for 1-Butylsulfanyl-4-p-tolyl-phthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylsulfanyl-4-p-tolyl-phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylsulfanyl-4-p-tolyl-phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.