AB00677731-01
TL;DR: AB00677731-01 (CAS 897613-02-4) is a chemical compound with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-fluorobenzamide
Also Known As: AB00677731-01, F2007-0431, N-(2-(6-(benzylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-fluorobenzamide, N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-fluorobenzamide, N-{2-[6-(benzylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}-4-fluorobenzamide
| Molecular Formula | C21H18FN5OS |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 3.5282 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1216 |
| Heavy Atoms | 29 |
| Complexity | 1115.0966 |
Chemical Identifiers
| CAS Number | 897613-02-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=C(C=C4)F)C=C2 |
Product Overview
AB00677731-01 (CAS 897613-02-4), with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol. IUPAC: N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-fluorobenzamide.
Chemical Property Profile of AB00677731-01
Property Insights of AB00677731-01
The XLogP value of 3.5282 indicates that AB00677731-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677731-01. Following Lipinski's Rule of Five, AB00677731-01 has 1 hydrogen bond donor(s) and 5 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 AB00677731-01?
The CAS number of AB00677731-01 is 897613-02-4.
What is the molecular formula of AB00677731-01?
The molecular formula of AB00677731-01 is C21H18FN5OS.
What is the molecular weight of AB00677731-01?
The molecular weight of AB00677731-01 is 407.12 g/mol.
Where can I buy AB00677731-01?
You can request a quote for AB00677731-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677731-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677731-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.