IFLab1_003139
TL;DR: IFLab1_003139 (CAS 1005152-94-2) is a chemical compound with molecular formula C17H22N4OS2 and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: IFLab1_003139, IDI1_009598, 5-((3,5-dimethylpiperidin-1-yl)(thiophen-2-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(3,5-dimethylpiperidin-1-yl)(thiophen-2-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C17H22N4OS2 |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 3.93362 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1235 |
| Heavy Atoms | 24 |
| Complexity | 828.38873 |
Chemical Identifiers
| CAS Number | 1005152-94-2 |
|---|---|
| SMILES | CC1CC(CN(C1)C(C2=CC=CS2)C3=C(N4C(=NC(=N4)C)S3)O)C |
Product Overview
IFLab1_003139 (CAS 1005152-94-2), with molecular formula C17H22N4OS2 and molecular weight 362.12 g/mol. IUPAC: 5-[(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of IFLab1_003139
Property Insights of IFLab1_003139
The XLogP value of 3.93362 indicates that IFLab1_003139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, IFLab1_003139 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003139 has 1 hydrogen bond donor(s) and 6 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_003139?
The CAS number of IFLab1_003139 is 1005152-94-2.
What is the molecular formula of IFLab1_003139?
The molecular formula of IFLab1_003139 is C17H22N4OS2.
What is the molecular weight of IFLab1_003139?
The molecular weight of IFLab1_003139 is 362.12 g/mol.
Where can I buy IFLab1_003139?
You can request a quote for IFLab1_003139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003139?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.