BAS 12975364
TL;DR: BAS 12975364 (CAS 586986-68-7) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975364, J2.041.452I, 3-pyridin-3-yl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/41329121, 3-(3-pyridinyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 586986-68-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C4=CN=CC=C4 |
| InChIKey | CBUYMBMOSJRBRH-UHFFFAOYSA-N |
Product Overview
BAS 12975364 (CAS 586986-68-7), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 3-pyridin-3-yl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975364
Property Insights of BAS 12975364
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12975364. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975364. Following Lipinski's Rule of Five, BAS 12975364 has 0 hydrogen bond donor(s) and 8 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 12975364?
The CAS number of BAS 12975364 is 586986-68-7.
What is the molecular formula of BAS 12975364?
The molecular formula of BAS 12975364 is C17H15N5O3S.
What is the molecular weight of BAS 12975364?
The molecular weight of BAS 12975364 is 369.09 g/mol.
Where can I buy BAS 12975364?
You can request a quote for BAS 12975364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975364?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.