![N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide structure](/static/products/3938/393825-59-7.webp)
N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
TL;DR: N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide (CAS 393825-59-7) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Also Known As: F0533-0207, N-butyl-1-(4-nitrophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide, N-butyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.4759 |
| Topological Polar Surface Area | 63.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 756.69147 |
Chemical Identifiers
| CAS Number | 393825-59-7 |
|---|---|
| SMILES | CCCCNC(=S)N1CCN2C=CC=C2C1C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide (CAS 393825-59-7), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: N-butyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide.
Chemical Property Profile of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Property Insights of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
The XLogP value of 3.4759 indicates that N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide. Following Lipinski's Rule of Five, N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 3 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 N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide?
The CAS number of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide is 393825-59-7.
What is the molecular formula of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide?
The molecular formula of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide is C18H22N4O2S.
What is the molecular weight of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide?
The molecular weight of N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide is 358.15 g/mol.
Where can I buy N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide?
You can request a quote for N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-1-(4-nitrophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.