IFLab1_002815
TL;DR: IFLab1_002815 (CAS 851081-33-9) is a chemical compound with molecular formula C16H17BrN4S and molecular weight 376.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]cyclopentanamine
Also Known As: IFLab1_002815, IFLab2_000123, IDI1_019149, N-[[3-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]cyclopentanamine, N-{[3-(4-BROMOPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-6-YL]METHYL}CYCLOPENTANAMINE
| Molecular Formula | C16H17BrN4S |
|---|---|
| Molecular Weight | 376.04 g/mol |
| LogP | 4.2525 |
| Topological Polar Surface Area | 42.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.03574 |
| Heavy Atoms | 22 |
| Complexity | 771.14905 |
Chemical Identifiers
| CAS Number | 851081-33-9 |
|---|---|
| SMILES | C1CCC(C1)NCC2=CN3C(=NN=C3S2)C4=CC=C(C=C4)Br |
Product Overview
IFLab1_002815 (CAS 851081-33-9), with molecular formula C16H17BrN4S and molecular weight 376.04 g/mol. IUPAC: N-[[3-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl]methyl]cyclopentanamine.
Chemical Property Profile of IFLab1_002815
Property Insights of IFLab1_002815
The XLogP value of 4.2525 indicates that IFLab1_002815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.22 Ų, IFLab1_002815 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_002815 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_002815?
The CAS number of IFLab1_002815 is 851081-33-9.
What is the molecular formula of IFLab1_002815?
The molecular formula of IFLab1_002815 is C16H17BrN4S.
What is the molecular weight of IFLab1_002815?
The molecular weight of IFLab1_002815 is 376.04 g/mol.
Where can I buy IFLab1_002815?
You can request a quote for IFLab1_002815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002815?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.