F0533-0179
TL;DR: F0533-0179 (CAS 393825-28-0) is a chemical compound with molecular formula C21H19Cl2N3S and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Also Known As: F0533-0179, 1-(2,4-dichlorophenyl)-N-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, 1-(2,4-dichlorophenyl)-N-(p-tolyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide, 1-(2,4-dichlorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
| Molecular Formula | C21H19Cl2N3S |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 5.90532 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.0677 |
| Heavy Atoms | 27 |
| Complexity | 981.34674 |
Chemical Identifiers
| CAS Number | 393825-28-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C4=C(C=C(C=C4)Cl)Cl |
Product Overview
F0533-0179 (CAS 393825-28-0), with molecular formula C21H19Cl2N3S and molecular weight 415.07 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide.
Chemical Property Profile of F0533-0179
Property Insights of F0533-0179
The XLogP value of 5.90532 indicates that F0533-0179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, F0533-0179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0533-0179 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0533-0179?
The CAS number of F0533-0179 is 393825-28-0.
What is the molecular formula of F0533-0179?
The molecular formula of F0533-0179 is C21H19Cl2N3S.
What is the molecular weight of F0533-0179?
The molecular weight of F0533-0179 is 415.07 g/mol.
Where can I buy F0533-0179?
You can request a quote for F0533-0179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0533-0179?
Yes, KEHONG BIO provides custom synthesis services for F0533-0179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.