IFLab1_004114
TL;DR: IFLab1_004114 (CAS 315682-24-7) is a chemical compound with molecular formula C14H11N5S2 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
Also Known As: IFLab1_004114, 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-5,6-dimethylthieno[2,3-d]pyrimidine, 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine, 5,6-dimethyl-4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
| Molecular Formula | C14H11N5S2 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.50204 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0456 |
| Heavy Atoms | 21 |
| Complexity | 956.476 |
Chemical Identifiers
| CAS Number | 315682-24-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SC3=NN=C4N3C=CC=C4)C |
Product Overview
IFLab1_004114 (CAS 315682-24-7), with molecular formula C14H11N5S2 and molecular weight 313.05 g/mol. IUPAC: 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.
Chemical Property Profile of IFLab1_004114
Property Insights of IFLab1_004114
The XLogP value of 3.50204 indicates that IFLab1_004114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, IFLab1_004114 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004114 has 0 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_004114?
The CAS number of IFLab1_004114 is 315682-24-7.
What is the molecular formula of IFLab1_004114?
The molecular formula of IFLab1_004114 is C14H11N5S2.
What is the molecular weight of IFLab1_004114?
The molecular weight of IFLab1_004114 is 313.05 g/mol.
Where can I buy IFLab1_004114?
You can request a quote for IFLab1_004114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004114?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.