BAS 12975418
TL;DR: BAS 12975418 (CAS 853891-68-6) is a chemical compound with molecular formula C17H13N5OS and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975418, 6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43300909, 6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, A4049/0172717
| Molecular Formula | C17H13N5OS |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.4268 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.08408 |
| Heavy Atoms | 24 |
| Complexity | 988.938 |
Chemical Identifiers
| CAS Number | 853891-68-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C2=NN3C(=NN=C3S2)C4=CN=CC=C4 |
Product Overview
BAS 12975418 (CAS 853891-68-6), with molecular formula C17H13N5OS and molecular weight 335.08 g/mol. IUPAC: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975418
Property Insights of BAS 12975418
The XLogP value of 3.4268 indicates that BAS 12975418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975418. Following Lipinski's Rule of Five, BAS 12975418 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 12975418?
The CAS number of BAS 12975418 is 853891-68-6.
What is the molecular formula of BAS 12975418?
The molecular formula of BAS 12975418 is C17H13N5OS.
What is the molecular weight of BAS 12975418?
The molecular weight of BAS 12975418 is 335.08 g/mol.
Where can I buy BAS 12975418?
You can request a quote for BAS 12975418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975418?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.