IFLab1_003035
TL;DR: IFLab1_003035 (CAS 394230-08-1) is a chemical compound with molecular formula C13H11BrN4OS3 and molecular weight 413.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
Also Known As: IFLab1_003035, IDI1_009494, F0748-0066, N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide, N-(5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl)-2-((4,5-dihydrothiazol-2-yl)thio)acetamide
| Molecular Formula | C13H11BrN4OS3 |
|---|---|
| Molecular Weight | 413.93 g/mol |
| LogP | 3.7421 |
| Topological Polar Surface Area | 67.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.92783 |
| Heavy Atoms | 22 |
| Complexity | 701.5657 |
Chemical Identifiers
| CAS Number | 394230-08-1 |
|---|---|
| SMILES | C1CSC(=N1)SCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br |
Product Overview
IFLab1_003035 (CAS 394230-08-1), with molecular formula C13H11BrN4OS3 and molecular weight 413.93 g/mol. IUPAC: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
Chemical Property Profile of IFLab1_003035
Property Insights of IFLab1_003035
The XLogP value of 3.7421 indicates that IFLab1_003035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.24 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003035. Following Lipinski's Rule of Five, IFLab1_003035 has 1 hydrogen bond donor(s) and 7 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_003035?
The CAS number of IFLab1_003035 is 394230-08-1.
What is the molecular formula of IFLab1_003035?
The molecular formula of IFLab1_003035 is C13H11BrN4OS3.
What is the molecular weight of IFLab1_003035?
The molecular weight of IFLab1_003035 is 413.93 g/mol.
Where can I buy IFLab1_003035?
You can request a quote for IFLab1_003035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003035?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.