BRD-A28677364-001-05-9
TL;DR: BRD-A28677364-001-05-9 (CAS 852374-32-4) is a chemical compound with molecular formula C15H13FN4O2S and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate
Also Known As: BRD-A28677364-001-05-9, methyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate, methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate, methyl 2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)propanoate, 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]propanoic acid methyl ester
| Molecular Formula | C15H13FN4O2S |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.584 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0743 |
| Heavy Atoms | 23 |
| Complexity | 850.3091 |
Chemical Identifiers
| CAS Number | 852374-32-4 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 |
Product Overview
BRD-A28677364-001-05-9 (CAS 852374-32-4), with molecular formula C15H13FN4O2S and molecular weight 332.07 g/mol. IUPAC: methyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate.
Chemical Property Profile of BRD-A28677364-001-05-9
Property Insights of BRD-A28677364-001-05-9
The XLogP value of 2.584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A28677364-001-05-9. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A28677364-001-05-9. Following Lipinski's Rule of Five, BRD-A28677364-001-05-9 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 BRD-A28677364-001-05-9?
The CAS number of BRD-A28677364-001-05-9 is 852374-32-4.
What is the molecular formula of BRD-A28677364-001-05-9?
The molecular formula of BRD-A28677364-001-05-9 is C15H13FN4O2S.
What is the molecular weight of BRD-A28677364-001-05-9?
The molecular weight of BRD-A28677364-001-05-9 is 332.07 g/mol.
Where can I buy BRD-A28677364-001-05-9?
You can request a quote for BRD-A28677364-001-05-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A28677364-001-05-9?
Yes, KEHONG BIO provides custom synthesis services for BRD-A28677364-001-05-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.