BAS 12975128
TL;DR: BAS 12975128 (CAS 878429-94-8) is a chemical compound with molecular formula C17H13BrN4O2S and molecular weight 415.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975128, 6-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43301134
| Molecular Formula | C17H13BrN4O2S |
|---|---|
| Molecular Weight | 415.99 g/mol |
| LogP | 4.2995 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.99426 |
| Heavy Atoms | 25 |
| Complexity | 1059.9265 |
Chemical Identifiers
| CAS Number | 878429-94-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC=C4Br)OC |
Product Overview
BAS 12975128 (CAS 878429-94-8), with molecular formula C17H13BrN4O2S and molecular weight 415.99 g/mol. IUPAC: 6-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975128
Property Insights of BAS 12975128
The XLogP value of 4.2995 indicates that BAS 12975128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975128. Following Lipinski's Rule of Five, BAS 12975128 has 0 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 BAS 12975128?
The CAS number of BAS 12975128 is 878429-94-8.
What is the molecular formula of BAS 12975128?
The molecular formula of BAS 12975128 is C17H13BrN4O2S.
What is the molecular weight of BAS 12975128?
The molecular weight of BAS 12975128 is 415.99 g/mol.
Where can I buy BAS 12975128?
You can request a quote for BAS 12975128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975128?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.