AP-853/42939130
TL;DR: AP-853/42939130 (CAS 718601-62-8) is a chemical compound with molecular formula C13H12N4OS3 and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: AP-853/42939130, N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C13H12N4OS3 |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 3.49544 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.01733 |
| Heavy Atoms | 21 |
| Complexity | 795.6696 |
Chemical Identifiers
| CAS Number | 718601-62-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(S3)C |
Product Overview
AP-853/42939130 (CAS 718601-62-8), with molecular formula C13H12N4OS3 and molecular weight 336.02 g/mol. IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AP-853/42939130
Property Insights of AP-853/42939130
The XLogP value of 3.49544 indicates that AP-853/42939130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42939130. Following Lipinski's Rule of Five, AP-853/42939130 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 AP-853/42939130?
The CAS number of AP-853/42939130 is 718601-62-8.
What is the molecular formula of AP-853/42939130?
The molecular formula of AP-853/42939130 is C13H12N4OS3.
What is the molecular weight of AP-853/42939130?
The molecular weight of AP-853/42939130 is 336.02 g/mol.
Where can I buy AP-853/42939130?
You can request a quote for AP-853/42939130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42939130?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42939130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.