BAS 10851531
TL;DR: BAS 10851531 (CAS 876879-56-0) is a chemical compound with molecular formula C13H13N3O2S3 and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]phenyl]acetamide
Also Known As: BAS 10851531, N-[4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]phenyl]acetamide, AP-853/43260231, N-[4-({[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetyl)phenyl]acetamide, N-(4-(2-((3-(methylthio)-1,2,4-thiadiazol-5-yl)thio)acetyl)phenyl)acetamide
| Molecular Formula | C13H13N3O2S3 |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 3.1934 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.017 |
| Heavy Atoms | 21 |
| Complexity | 640.36597 |
Chemical Identifiers
| CAS Number | 876879-56-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=NS2)SC |
Product Overview
BAS 10851531 (CAS 876879-56-0), with molecular formula C13H13N3O2S3 and molecular weight 339.02 g/mol. IUPAC: N-[4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]phenyl]acetamide.
Chemical Property Profile of BAS 10851531
Property Insights of BAS 10851531
The XLogP value of 3.1934 indicates that BAS 10851531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10851531. Following Lipinski's Rule of Five, BAS 10851531 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 BAS 10851531?
The CAS number of BAS 10851531 is 876879-56-0.
What is the molecular formula of BAS 10851531?
The molecular formula of BAS 10851531 is C13H13N3O2S3.
What is the molecular weight of BAS 10851531?
The molecular weight of BAS 10851531 is 339.02 g/mol.
Where can I buy BAS 10851531?
You can request a quote for BAS 10851531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10851531?
Yes, KEHONG BIO provides custom synthesis services for BAS 10851531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.