![3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione structure](/static/products/313/313945-31-2.png)
3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione
TL;DR: 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione (CAS 313945-31-2) is a chemical compound with molecular formula C20H16N4S and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-(quinolin-8-yliminomethyl)-1H-pyrazole-3-thione
Also Known As: 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione, 3-methyl-1-phenyl-4-{[(quinolin-8-yl)imino]methyl}-1H-pyrazole-5-thiol, 5-methyl-2-phenyl-4-[(quinolin-8-ylamino)methylidene]pyrazole-3-thione, 8-[(1-Phenyl-3-methyl-5-mercapto-1H-pyrazol-4-yl)methyleneamino]quinoline, (4E)-5-methyl-2-phenyl-4-[(quinolin-8-ylamino)methylidene]pyrazole-3-thione
| Molecular Formula | C20H16N4S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 5.14211 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.10956 |
| Heavy Atoms | 25 |
| Complexity | 1118.1124 |
Chemical Identifiers
| CAS Number | 313945-31-2 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=CC=CC4=C3N=CC=C4 |
Product Overview
3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione (CAS 313945-31-2), with molecular formula C20H16N4S and molecular weight 344.11 g/mol. IUPAC: 5-methyl-2-phenyl-4-(quinolin-8-yliminomethyl)-1H-pyrazole-3-thione.
Chemical Property Profile of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione
Property Insights of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione
The XLogP value of 5.14211 indicates that 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione has 1 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 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione?
The CAS number of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione is 313945-31-2.
What is the molecular formula of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione?
The molecular formula of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione is C20H16N4S.
What is the molecular weight of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione?
The molecular weight of 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione is 344.11 g/mol.
Where can I buy 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione?
You can request a quote for 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-4-[(8-quinolylamino)methylene]-1,2-diazoline-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.