Dithiopyrylmethan
TL;DR: Dithiopyrylmethan (CAS 53799-78-3) is a chemical compound with molecular formula C23H24N4S2 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,5-dimethyl-2-phenyl-3-sulfanylidenepyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazole-3-thione
Also Known As: Dithiopyrylmethan, Dithioantipyrylmethane, 4,4 -Methylenebis[2,3-dimethyl-1-phenyl-1H-pyrazole-5(2H)-thione], 4,4'-methylenebis(1,5-dimethyl-2-phenyl-1H-pyrazole-3(2H)-thione), 4,4'-methanediylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazole-3-thione)
| Molecular Formula | C23H24N4S2 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 5.61162 |
| Topological Polar Surface Area | 19.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.14423 |
| Heavy Atoms | 29 |
| Complexity | 1187.1393 |
Chemical Identifiers
| CAS Number | 53799-78-3 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=S)C4=CC=CC=C4)C)C |
Product Overview
Dithiopyrylmethan (CAS 53799-78-3), with molecular formula C23H24N4S2 and molecular weight 420.14 g/mol. IUPAC: 4-[(1,5-dimethyl-2-phenyl-3-sulfanylidenepyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazole-3-thione.
Chemical Property Profile of Dithiopyrylmethan
Property Insights of Dithiopyrylmethan
The XLogP value of 5.61162 indicates that Dithiopyrylmethan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.72 Ų, Dithiopyrylmethan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiopyrylmethan has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dithiopyrylmethan?
The CAS number of Dithiopyrylmethan is 53799-78-3.
What is the molecular formula of Dithiopyrylmethan?
The molecular formula of Dithiopyrylmethan is C23H24N4S2.
What is the molecular weight of Dithiopyrylmethan?
The molecular weight of Dithiopyrylmethan is 420.14 g/mol.
Where can I buy Dithiopyrylmethan?
You can request a quote for Dithiopyrylmethan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiopyrylmethan?
Yes, KEHONG BIO provides custom synthesis services for Dithiopyrylmethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.