IFLab1_002915
TL;DR: IFLab1_002915 (CAS 851716-53-5) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: IFLab1_002915, IDI1_009374, 2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, F0620-0025, (Z)-S-(2-((6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 1.9554 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 730.78174 |
Chemical Identifiers
| CAS Number | 851716-53-5 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OC)C |
Product Overview
IFLab1_002915 (CAS 851716-53-5), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: S-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of IFLab1_002915
Property Insights of IFLab1_002915
The XLogP value of 1.9554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002915. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002915. Following Lipinski's Rule of Five, IFLab1_002915 has 0 hydrogen bond donor(s) and 5 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_002915?
The CAS number of IFLab1_002915 is 851716-53-5.
What is the molecular formula of IFLab1_002915?
The molecular formula of IFLab1_002915 is C13H14N2O3S2.
What is the molecular weight of IFLab1_002915?
The molecular weight of IFLab1_002915 is 310.04 g/mol.
Where can I buy IFLab1_002915?
You can request a quote for IFLab1_002915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002915?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.