BAS 12975396
TL;DR: BAS 12975396 (CAS 586988-20-7) is a chemical compound with molecular formula C15H9Cl2N5OS and molecular weight 376.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,4-dichlorophenoxy)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975396, 6-[(2,4-dichlorophenoxy)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43300888, 2,4-dichlorophenyl [3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether, 3-[6-(2,4-dichlorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine
| Molecular Formula | C15H9Cl2N5OS |
|---|---|
| Molecular Weight | 376.99 g/mol |
| LogP | 4.1336 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.99048 |
| Heavy Atoms | 24 |
| Complexity | 1001.703 |
Chemical Identifiers
| CAS Number | 586988-20-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)COC4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 12975396 (CAS 586988-20-7), with molecular formula C15H9Cl2N5OS and molecular weight 376.99 g/mol. IUPAC: 6-[(2,4-dichlorophenoxy)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975396
Property Insights of BAS 12975396
The XLogP value of 4.1336 indicates that BAS 12975396 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 12975396. Following Lipinski's Rule of Five, BAS 12975396 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 12975396?
The CAS number of BAS 12975396 is 586988-20-7.
What is the molecular formula of BAS 12975396?
The molecular formula of BAS 12975396 is C15H9Cl2N5OS.
What is the molecular weight of BAS 12975396?
The molecular weight of BAS 12975396 is 376.99 g/mol.
Where can I buy BAS 12975396?
You can request a quote for BAS 12975396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975396?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.