F2007-0087
TL;DR: F2007-0087 (CAS 872994-35-9) is a chemical compound with molecular formula C22H21N5OS and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
Also Known As: F2007-0087, N-(2-(6-((3-methylbenzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide, N-[2-(6-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide, N-[2-[6-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
| Molecular Formula | C22H21N5OS |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.69752 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.14667 |
| Heavy Atoms | 29 |
| Complexity | 1126.4778 |
Chemical Identifiers
| CAS Number | 872994-35-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 |
Product Overview
F2007-0087 (CAS 872994-35-9), with molecular formula C22H21N5OS and molecular weight 403.15 g/mol. IUPAC: N-[2-[6-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.
Chemical Property Profile of F2007-0087
Property Insights of F2007-0087
The XLogP value of 3.69752 indicates that F2007-0087 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 F2007-0087. Following Lipinski's Rule of Five, F2007-0087 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 F2007-0087?
The CAS number of F2007-0087 is 872994-35-9.
What is the molecular formula of F2007-0087?
The molecular formula of F2007-0087 is C22H21N5OS.
What is the molecular weight of F2007-0087?
The molecular weight of F2007-0087 is 403.15 g/mol.
Where can I buy F2007-0087?
You can request a quote for F2007-0087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2007-0087?
Yes, KEHONG BIO provides custom synthesis services for F2007-0087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.