IFLab1_005858
TL;DR: IFLab1_005858 (CAS 865593-27-7) is a chemical compound with molecular formula C18H17N3OS3 and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
Also Known As: IFLab1_005858, IDI1_011261, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)sulfanyl]acetamide, F1423-3474, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
| Molecular Formula | C18H17N3OS3 |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 4.86962 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.05338 |
| Heavy Atoms | 25 |
| Complexity | 819.0974 |
Chemical Identifiers
| CAS Number | 865593-27-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3 |
Product Overview
IFLab1_005858 (CAS 865593-27-7), with molecular formula C18H17N3OS3 and molecular weight 387.05 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide.
Chemical Property Profile of IFLab1_005858
Property Insights of IFLab1_005858
The XLogP value of 4.86962 indicates that IFLab1_005858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, IFLab1_005858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005858 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_005858?
The CAS number of IFLab1_005858 is 865593-27-7.
What is the molecular formula of IFLab1_005858?
The molecular formula of IFLab1_005858 is C18H17N3OS3.
What is the molecular weight of IFLab1_005858?
The molecular weight of IFLab1_005858 is 387.05 g/mol.
Where can I buy IFLab1_005858?
You can request a quote for IFLab1_005858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005858?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.