ChemDiv2_004886
TL;DR: ChemDiv2_004886 (CAS 663169-17-3) is a chemical compound with molecular formula C12H10N4O4S2 and molecular weight 338.01 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)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv2_004886, EiM08-25512, IDI1_003601, n-(5-Methyl-1,3,4-thiadiazol-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C12H10N4O4S2 |
|---|---|
| Molecular Weight | 338.01 g/mol |
| LogP | 0.62972 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.01434 |
| Heavy Atoms | 22 |
| Complexity | 874.75635 |
Chemical Identifiers
| CAS Number | 663169-17-3 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
ChemDiv2_004886 (CAS 663169-17-3), with molecular formula C12H10N4O4S2 and molecular weight 338.01 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv2_004886
Property Insights of ChemDiv2_004886
The XLogP value of 0.62972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004886. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004886. Following Lipinski's Rule of Five, ChemDiv2_004886 has 1 hydrogen bond donor(s) and 7 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 ChemDiv2_004886?
The CAS number of ChemDiv2_004886 is 663169-17-3.
What is the molecular formula of ChemDiv2_004886?
The molecular formula of ChemDiv2_004886 is C12H10N4O4S2.
What is the molecular weight of ChemDiv2_004886?
The molecular weight of ChemDiv2_004886 is 338.01 g/mol.
Where can I buy ChemDiv2_004886?
You can request a quote for ChemDiv2_004886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004886?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.