IFLab1_002829
TL;DR: IFLab1_002829 (CAS 1164532-61-9) is a chemical compound with molecular formula C18H23N3O2S2 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
Also Known As: IFLab1_002829, IDI1_009288, N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide, N-[(2Z)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]-2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]thio}acetamide, N-[(2Z)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}acetamide
| Molecular Formula | C18H23N3O2S2 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 2.6588 |
| Topological Polar Surface Area | 54.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.12317 |
| Heavy Atoms | 25 |
| Complexity | 840.2039 |
Chemical Identifiers
| CAS Number | 1164532-61-9 |
|---|---|
| SMILES | CC1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)C |
Product Overview
IFLab1_002829 (CAS 1164532-61-9), with molecular formula C18H23N3O2S2 and molecular weight 377.12 g/mol. IUPAC: N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.
Chemical Property Profile of IFLab1_002829
Property Insights of IFLab1_002829
The XLogP value of 2.6588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002829. With a topological polar surface area (TPSA) of 54.67 Ų, IFLab1_002829 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_002829 has 0 hydrogen bond donor(s) and 4 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_002829?
The CAS number of IFLab1_002829 is 1164532-61-9.
What is the molecular formula of IFLab1_002829?
The molecular formula of IFLab1_002829 is C18H23N3O2S2.
What is the molecular weight of IFLab1_002829?
The molecular weight of IFLab1_002829 is 377.12 g/mol.
Where can I buy IFLab1_002829?
You can request a quote for IFLab1_002829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002829?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.