IFLab1_005508
TL;DR: IFLab1_005508 (CAS 496776-46-6) is a chemical compound with molecular formula C16H15N3O3S2 and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: IFLab1_005508, IDI1_010911, F1308-0049, methyl 2-((4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C16H15N3O3S2 |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 3.2695 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.05548 |
| Heavy Atoms | 24 |
| Complexity | 813.72253 |
Chemical Identifiers
| CAS Number | 496776-46-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=CS3 |
Product Overview
IFLab1_005508 (CAS 496776-46-6), with molecular formula C16H15N3O3S2 and molecular weight 361.06 g/mol. IUPAC: methyl 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of IFLab1_005508
Property Insights of IFLab1_005508
The XLogP value of 3.2695 indicates that IFLab1_005508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005508. Following Lipinski's Rule of Five, IFLab1_005508 has 0 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_005508?
The CAS number of IFLab1_005508 is 496776-46-6.
What is the molecular formula of IFLab1_005508?
The molecular formula of IFLab1_005508 is C16H15N3O3S2.
What is the molecular weight of IFLab1_005508?
The molecular weight of IFLab1_005508 is 361.06 g/mol.
Where can I buy IFLab1_005508?
You can request a quote for IFLab1_005508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005508?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.