IFLab1_002396
TL;DR: IFLab1_002396 (CAS 957658-56-9) is a chemical compound with molecular formula C18H16BrN3O3S and molecular weight 433.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
Also Known As: IFLab1_002396, AB00157552-02, F0561-0169, 5-bromo-N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide, 5-bromo-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
| Molecular Formula | C18H16BrN3O3S |
|---|---|
| Molecular Weight | 433.01 g/mol |
| LogP | 3.85924 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.00958 |
| Heavy Atoms | 26 |
| Complexity | 1054.1312 |
Chemical Identifiers
| CAS Number | 957658-56-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=C(O4)Br)C |
Product Overview
IFLab1_002396 (CAS 957658-56-9), with molecular formula C18H16BrN3O3S and molecular weight 433.01 g/mol. IUPAC: 5-bromo-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide.
Chemical Property Profile of IFLab1_002396
Property Insights of IFLab1_002396
The XLogP value of 3.85924 indicates that IFLab1_002396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002396. Following Lipinski's Rule of Five, IFLab1_002396 has 1 hydrogen bond donor(s) and 4 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 IFLab1_002396?
The CAS number of IFLab1_002396 is 957658-56-9.
What is the molecular formula of IFLab1_002396?
The molecular formula of IFLab1_002396 is C18H16BrN3O3S.
What is the molecular weight of IFLab1_002396?
The molecular weight of IFLab1_002396 is 433.01 g/mol.
Where can I buy IFLab1_002396?
You can request a quote for IFLab1_002396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002396?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.