F1404-0029
TL;DR: F1404-0029 (CAS 618397-32-3) is a chemical compound with molecular formula C17H14BrClN2O3S and molecular weight 439.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(2-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: F1404-0029, 1-(4-bromophenyl)-3-(2-chlorophenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, 1-(4-bromophenyl)-3-(2-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione, 2-(p-bromophenyl)-4-(o-chlorophenyl)-3-oxo-7-oxo-7lambda-thia-2,4-diazabicyclo[3.3.0]octan-7-ium-7-olate
| Molecular Formula | C17H14BrClN2O3S |
|---|---|
| Molecular Weight | 439.96 g/mol |
| LogP | 3.7147 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.9597 |
| Heavy Atoms | 25 |
| Complexity | 948.62024 |
Chemical Identifiers
| CAS Number | 618397-32-3 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)N(C(=O)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4Cl |
Product Overview
F1404-0029 (CAS 618397-32-3), with molecular formula C17H14BrClN2O3S and molecular weight 439.96 g/mol. IUPAC: 1-(4-bromophenyl)-3-(2-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of F1404-0029
Property Insights of F1404-0029
The XLogP value of 3.7147 indicates that F1404-0029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, F1404-0029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1404-0029 has 0 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 F1404-0029?
The CAS number of F1404-0029 is 618397-32-3.
What is the molecular formula of F1404-0029?
The molecular formula of F1404-0029 is C17H14BrClN2O3S.
What is the molecular weight of F1404-0029?
The molecular weight of F1404-0029 is 439.96 g/mol.
Where can I buy F1404-0029?
You can request a quote for F1404-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1404-0029?
Yes, KEHONG BIO provides custom synthesis services for F1404-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.