BAS 12975394
TL;DR: BAS 12975394 (CAS 877789-00-9) is a chemical compound with molecular formula C15H10ClN5OS and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenoxy)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975394, 6-[(4-chlorophenoxy)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[6-(4-chlorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine, 6-((4-chlorophenoxy)methyl)-3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C15H10ClN5OS |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 3.4802 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.02945 |
| Heavy Atoms | 23 |
| Complexity | 935.583 |
Chemical Identifiers
| CAS Number | 877789-00-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)COC4=CC=C(C=C4)Cl |
Product Overview
BAS 12975394 (CAS 877789-00-9), with molecular formula C15H10ClN5OS and molecular weight 343.03 g/mol. IUPAC: 6-[(4-chlorophenoxy)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975394
Property Insights of BAS 12975394
The XLogP value of 3.4802 indicates that BAS 12975394 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 12975394. Following Lipinski's Rule of Five, BAS 12975394 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 12975394?
The CAS number of BAS 12975394 is 877789-00-9.
What is the molecular formula of BAS 12975394?
The molecular formula of BAS 12975394 is C15H10ClN5OS.
What is the molecular weight of BAS 12975394?
The molecular weight of BAS 12975394 is 343.03 g/mol.
Where can I buy BAS 12975394?
You can request a quote for BAS 12975394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975394?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.