![1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide structure](/static/products/3938/393831-08-8.webp)
1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
TL;DR: 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide (CAS 393831-08-8) is a chemical compound with molecular formula C22H22FN3O2S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Also Known As: 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, F0533-0316, 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide, 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-diene-4-carbothioamide
| Molecular Formula | C22H22FN3O2S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 4.4464 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.14166 |
| Heavy Atoms | 29 |
| Complexity | 1019.1518 |
Chemical Identifiers
| CAS Number | 393831-08-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)F |
Product Overview
1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide (CAS 393831-08-8), with molecular formula C22H22FN3O2S and molecular weight 411.14 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide.
Chemical Property Profile of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Property Insights of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
The XLogP value of 4.4464 indicates that 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-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 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide?
The CAS number of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide is 393831-08-8.
What is the molecular formula of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide?
The molecular formula of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide is C22H22FN3O2S.
What is the molecular weight of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide?
The molecular weight of 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide is 411.14 g/mol.
Where can I buy 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide?
You can request a quote for 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.