AB00672175-01
TL;DR: AB00672175-01 (CAS 863458-43-9) is a chemical compound with molecular formula C20H17FN6OS and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(3-methylphenyl)acetamide
Also Known As: AB00672175-01, F0682-0351, 2-({3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-methylphenyl)acetamide, 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(m-tolyl)acetamide, 2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(3-methylphenyl)acetamide
| Molecular Formula | C20H17FN6OS |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 3.44792 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.11685 |
| Heavy Atoms | 29 |
| Complexity | 1178.5752 |
Chemical Identifiers
| CAS Number | 863458-43-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4F |
Product Overview
AB00672175-01 (CAS 863458-43-9), with molecular formula C20H17FN6OS and molecular weight 408.12 g/mol. IUPAC: 2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00672175-01
Property Insights of AB00672175-01
The XLogP value of 3.44792 indicates that AB00672175-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672175-01. Following Lipinski's Rule of Five, AB00672175-01 has 1 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 AB00672175-01?
The CAS number of AB00672175-01 is 863458-43-9.
What is the molecular formula of AB00672175-01?
The molecular formula of AB00672175-01 is C20H17FN6OS.
What is the molecular weight of AB00672175-01?
The molecular weight of AB00672175-01 is 408.12 g/mol.
Where can I buy AB00672175-01?
You can request a quote for AB00672175-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672175-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672175-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.