F0533-0533
TL;DR: F0533-0533 (CAS 393833-31-3) is a chemical compound with molecular formula C22H22BrN3O2S and molecular weight 471.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Also Known As: F0533-0533, N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide, N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide, N-(3-BROMOPHENYL)-1-(3,4-DIMETHOXYPHENYL)-1H,2H,3H,4H-PYRROLO[1,2-A]PYRAZINE-2-CARBOTHIOAMIDE, N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-diene-4-carbothioamide
| Molecular Formula | C22H22BrN3O2S |
|---|---|
| Molecular Weight | 471.06 g/mol |
| LogP | 5.0698 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.0616 |
| Heavy Atoms | 29 |
| Complexity | 1036.4017 |
Chemical Identifiers
| CAS Number | 393833-31-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC=C4)Br)OC |
Product Overview
F0533-0533 (CAS 393833-31-3), with molecular formula C22H22BrN3O2S and molecular weight 471.06 g/mol. IUPAC: N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide.
Chemical Property Profile of F0533-0533
Property Insights of F0533-0533
The XLogP value of 5.0698 indicates that F0533-0533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, F0533-0533 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0533-0533 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 F0533-0533?
The CAS number of F0533-0533 is 393833-31-3.
What is the molecular formula of F0533-0533?
The molecular formula of F0533-0533 is C22H22BrN3O2S.
What is the molecular weight of F0533-0533?
The molecular weight of F0533-0533 is 471.06 g/mol.
Where can I buy F0533-0533?
You can request a quote for F0533-0533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0533-0533?
Yes, KEHONG BIO provides custom synthesis services for F0533-0533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.