IFLab1_001995
TL;DR: IFLab1_001995 (CAS 392324-92-4) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Also Known As: IFLab1_001995, F0440-0364, (E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide, N-[(2E)-3,6-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide, N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 1.12452 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 846.5301 |
Chemical Identifiers
| CAS Number | 392324-92-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)CCC3=O)S2)C |
Product Overview
IFLab1_001995 (CAS 392324-92-4), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
Chemical Property Profile of IFLab1_001995
Property Insights of IFLab1_001995
The XLogP value of 1.12452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001995. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001995. Following Lipinski's Rule of Five, IFLab1_001995 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_001995?
The CAS number of IFLab1_001995 is 392324-92-4.
What is the molecular formula of IFLab1_001995?
The molecular formula of IFLab1_001995 is C15H15N3O3S.
What is the molecular weight of IFLab1_001995?
The molecular weight of IFLab1_001995 is 317.08 g/mol.
Where can I buy IFLab1_001995?
You can request a quote for IFLab1_001995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001995?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.