AB00685009-01
TL;DR: AB00685009-01 (CAS 863458-07-5) is a chemical compound with molecular formula C17H14FN7O2S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00685009-01, F0682-0292, 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C17H14FN7O2S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 2.43592 |
| Topological Polar Surface Area | 111.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.09137 |
| Heavy Atoms | 28 |
| Complexity | 1126.2059 |
Chemical Identifiers
| CAS Number | 863458-07-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
AB00685009-01 (CAS 863458-07-5), with molecular formula C17H14FN7O2S and molecular weight 399.09 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00685009-01
Property Insights of AB00685009-01
The XLogP value of 2.43592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685009-01. The TPSA of 111.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685009-01. Following Lipinski's Rule of Five, AB00685009-01 has 1 hydrogen bond donor(s) and 8 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 AB00685009-01?
The CAS number of AB00685009-01 is 863458-07-5.
What is the molecular formula of AB00685009-01?
The molecular formula of AB00685009-01 is C17H14FN7O2S.
What is the molecular weight of AB00685009-01?
The molecular weight of AB00685009-01 is 399.09 g/mol.
Where can I buy AB00685009-01?
You can request a quote for AB00685009-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685009-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685009-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.