AB00686486-01
TL;DR: AB00686486-01 (CAS 780818-73-7) is a chemical compound with molecular formula C15H15BrN6OS2 and molecular weight 437.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
Also Known As: AB00686486-01, 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-(4-bromobenzyl)thiazol-2-yl)acetamide, F1762-0337, 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}acetamide, 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
| Molecular Formula | C15H15BrN6OS2 |
|---|---|
| Molecular Weight | 437.99 g/mol |
| LogP | 2.84092 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.99323 |
| Heavy Atoms | 25 |
| Complexity | 876.5364 |
Chemical Identifiers
| CAS Number | 780818-73-7 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br |
Product Overview
AB00686486-01 (CAS 780818-73-7), with molecular formula C15H15BrN6OS2 and molecular weight 437.99 g/mol. IUPAC: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of AB00686486-01
Property Insights of AB00686486-01
The XLogP value of 2.84092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686486-01. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686486-01. Following Lipinski's Rule of Five, AB00686486-01 has 2 hydrogen bond donor(s) and 7 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 AB00686486-01?
The CAS number of AB00686486-01 is 780818-73-7.
What is the molecular formula of AB00686486-01?
The molecular formula of AB00686486-01 is C15H15BrN6OS2.
What is the molecular weight of AB00686486-01?
The molecular weight of AB00686486-01 is 437.99 g/mol.
Where can I buy AB00686486-01?
You can request a quote for AB00686486-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686486-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686486-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.