1-Butylsulfanyl-4-phenylphthalazine
TL;DR: 1-Butylsulfanyl-4-phenylphthalazine (CAS 101794-32-5) is a chemical compound with molecular formula C18H18N2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanyl-4-phenylphthalazine
Also Known As: 1-butylsulfanyl-4-phenylphthalazine, 1-(butylthio)-4-phenylphthalazine, 1-(butylsulfanyl)-4-phenylphthalazine
| Molecular Formula | C18H18N2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 5.189 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11908 |
| Heavy Atoms | 21 |
| Complexity | 725.62476 |
Chemical Identifiers
| CAS Number | 101794-32-5 |
|---|---|
| SMILES | CCCCSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
1-Butylsulfanyl-4-phenylphthalazine (CAS 101794-32-5), with molecular formula C18H18N2S and molecular weight 294.12 g/mol. IUPAC: 1-butylsulfanyl-4-phenylphthalazine.
Chemical Property Profile of 1-Butylsulfanyl-4-phenylphthalazine
Property Insights of 1-Butylsulfanyl-4-phenylphthalazine
The XLogP value of 5.189 indicates that 1-Butylsulfanyl-4-phenylphthalazine 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-phenylphthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylsulfanyl-4-phenylphthalazine 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-phenylphthalazine?
The CAS number of 1-Butylsulfanyl-4-phenylphthalazine is 101794-32-5.
What is the molecular formula of 1-Butylsulfanyl-4-phenylphthalazine?
The molecular formula of 1-Butylsulfanyl-4-phenylphthalazine is C18H18N2S.
What is the molecular weight of 1-Butylsulfanyl-4-phenylphthalazine?
The molecular weight of 1-Butylsulfanyl-4-phenylphthalazine is 294.12 g/mol.
Where can I buy 1-Butylsulfanyl-4-phenylphthalazine?
You can request a quote for 1-Butylsulfanyl-4-phenylphthalazine 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-phenylphthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylsulfanyl-4-phenylphthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.