IFLab1_003084
TL;DR: IFLab1_003084 (CAS 852046-36-7) is a chemical compound with molecular formula C13H12N4O2S2 and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
Also Known As: IFLab1_003084, IDI1_009543, N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide, AT-057/43348308, N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
| Molecular Formula | C13H12N4O2S2 |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.04016 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 852046-36-7 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CCN2C3=CC=CC=C3SC2=O |
| InChIKey | ZGXQXPLVGCHNLG-UHFFFAOYSA-N |
Product Overview
IFLab1_003084 (CAS 852046-36-7), with molecular formula C13H12N4O2S2 and molecular weight 320.04 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
Chemical Property Profile of IFLab1_003084
Property Insights of IFLab1_003084
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003084. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003084. Following Lipinski's Rule of Five, IFLab1_003084 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_003084?
The CAS number of IFLab1_003084 is 852046-36-7.
What is the molecular formula of IFLab1_003084?
The molecular formula of IFLab1_003084 is C13H12N4O2S2.
What is the molecular weight of IFLab1_003084?
The molecular weight of IFLab1_003084 is 320.04 g/mol.
Where can I buy IFLab1_003084?
You can request a quote for IFLab1_003084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003084?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.