AP-853/42938779
TL;DR: AP-853/42938779 (CAS 714211-30-0) is a chemical compound with molecular formula C12H9BrN4OS3 and molecular weight 399.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: AP-853/42938779, N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C12H9BrN4OS3 |
|---|---|
| Molecular Weight | 399.91 g/mol |
| LogP | 3.94952 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.9122 |
| Heavy Atoms | 21 |
| Complexity | 800.7558 |
Chemical Identifiers
| CAS Number | 714211-30-0 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br |
Product Overview
AP-853/42938779 (CAS 714211-30-0), with molecular formula C12H9BrN4OS3 and molecular weight 399.91 g/mol. IUPAC: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AP-853/42938779
Property Insights of AP-853/42938779
The XLogP value of 3.94952 indicates that AP-853/42938779 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-853/42938779. Following Lipinski's Rule of Five, AP-853/42938779 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-853/42938779?
The CAS number of AP-853/42938779 is 714211-30-0.
What is the molecular formula of AP-853/42938779?
The molecular formula of AP-853/42938779 is C12H9BrN4OS3.
What is the molecular weight of AP-853/42938779?
The molecular weight of AP-853/42938779 is 399.91 g/mol.
Where can I buy AP-853/42938779?
You can request a quote for AP-853/42938779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42938779?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42938779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.