IFLab1_003461
TL;DR: IFLab1_003461 (CAS 394235-46-2) is a chemical compound with molecular formula C15H16N4O2S3 and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
Also Known As: IFLab1_003461, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide, 2-((4,5-dihydrothiazol-2-yl)thio)-N-(5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl)propanamide, 2-(4,5-dihydrothiazol-2-ylthio)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide, N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-thiazolin-2-ylthio)propionamide
| Molecular Formula | C15H16N4O2S3 |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 3.3767 |
| Topological Polar Surface Area | 76.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.04355 |
| Heavy Atoms | 24 |
| Complexity | 762.6824 |
Chemical Identifiers
| CAS Number | 394235-46-2 |
|---|---|
| SMILES | CC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2OC)SC3=NCCS3 |
Product Overview
IFLab1_003461 (CAS 394235-46-2), with molecular formula C15H16N4O2S3 and molecular weight 380.04 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
Chemical Property Profile of IFLab1_003461
Property Insights of IFLab1_003461
The XLogP value of 3.3767 indicates that IFLab1_003461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.47 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003461. Following Lipinski's Rule of Five, IFLab1_003461 has 1 hydrogen bond donor(s) and 8 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_003461?
The CAS number of IFLab1_003461 is 394235-46-2.
What is the molecular formula of IFLab1_003461?
The molecular formula of IFLab1_003461 is C15H16N4O2S3.
What is the molecular weight of IFLab1_003461?
The molecular weight of IFLab1_003461 is 380.04 g/mol.
Where can I buy IFLab1_003461?
You can request a quote for IFLab1_003461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003461?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.