F0533-0242
TL;DR: F0533-0242 (CAS 393830-27-8) is a chemical compound with molecular formula C19H25N3S and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Also Known As: F0533-0242, N-(tert-butyl)-1-(p-tolyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide, N-tert-butyl-1-(4-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, N-tert-butyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, 5-(4-methylphenyl)-N-tert-butyl-1,4-diazabicyclo[4.3.0]nona-6,8-diene-4-carbothioamide
| Molecular Formula | C19H25N3S |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.87452 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.1769 |
| Heavy Atoms | 23 |
| Complexity | 694.14996 |
Chemical Identifiers
| CAS Number | 393830-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC(C)(C)C |
Product Overview
F0533-0242 (CAS 393830-27-8), with molecular formula C19H25N3S and molecular weight 327.18 g/mol. IUPAC: N-tert-butyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide.
Chemical Property Profile of F0533-0242
Property Insights of F0533-0242
The XLogP value of 3.87452 indicates that F0533-0242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, F0533-0242 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0533-0242 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0533-0242?
The CAS number of F0533-0242 is 393830-27-8.
What is the molecular formula of F0533-0242?
The molecular formula of F0533-0242 is C19H25N3S.
What is the molecular weight of F0533-0242?
The molecular weight of F0533-0242 is 327.18 g/mol.
Where can I buy F0533-0242?
You can request a quote for F0533-0242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0533-0242?
Yes, KEHONG BIO provides custom synthesis services for F0533-0242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.