AB00685001-01
TL;DR: AB00685001-01 (CAS 863457-68-5) is a chemical compound with molecular formula C19H14F2N6OS and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: AB00685001-01, F0682-0249, 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(3-fluorophenyl)acetamide, N-(3-fluorophenyl)-2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide, N-(3-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
| Molecular Formula | C19H14F2N6OS |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 3.2786 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0918 |
| Heavy Atoms | 29 |
| Complexity | 1165.0531 |
Chemical Identifiers
| CAS Number | 863457-68-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
AB00685001-01 (CAS 863457-68-5), with molecular formula C19H14F2N6OS and molecular weight 412.09 g/mol. IUPAC: N-(3-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of AB00685001-01
Property Insights of AB00685001-01
The XLogP value of 3.2786 indicates that AB00685001-01 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 AB00685001-01. Following Lipinski's Rule of Five, AB00685001-01 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 AB00685001-01?
The CAS number of AB00685001-01 is 863457-68-5.
What is the molecular formula of AB00685001-01?
The molecular formula of AB00685001-01 is C19H14F2N6OS.
What is the molecular weight of AB00685001-01?
The molecular weight of AB00685001-01 is 412.09 g/mol.
Where can I buy AB00685001-01?
You can request a quote for AB00685001-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685001-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685001-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.