BAS 12974976
TL;DR: BAS 12974976 (CAS 877804-26-7) is a chemical compound with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12974976, 3-(4-chlorophenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-chlorophenyl)-6-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43301287, 3-(4-chlorophenyl)-6-(4-methoxyphenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H13ClN4O2S |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 4.0938 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.04477 |
| Heavy Atoms | 25 |
| Complexity | 995.85004 |
Chemical Identifiers
| CAS Number | 877804-26-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)Cl |
Product Overview
BAS 12974976 (CAS 877804-26-7), with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol. IUPAC: 3-(4-chlorophenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12974976
Property Insights of BAS 12974976
The XLogP value of 4.0938 indicates that BAS 12974976 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 12974976. Following Lipinski's Rule of Five, BAS 12974976 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 12974976?
The CAS number of BAS 12974976 is 877804-26-7.
What is the molecular formula of BAS 12974976?
The molecular formula of BAS 12974976 is C17H13ClN4O2S.
What is the molecular weight of BAS 12974976?
The molecular weight of BAS 12974976 is 372.04 g/mol.
Where can I buy BAS 12974976?
You can request a quote for BAS 12974976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12974976?
Yes, KEHONG BIO provides custom synthesis services for BAS 12974976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.