![2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid structure](/static/products/863/863459-03-4.png)
2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid
TL;DR: 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid (CAS 863459-03-4) is a chemical compound with molecular formula C13H10FN5O2S and molecular weight 319.05 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]sulfanylacetic acid
Also Known As: AB00685021-01, F0682-0438, 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid, 2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetic acid, 2-({3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetic acid
| Molecular Formula | C13H10FN5O2S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 1.5854 |
| Topological Polar Surface Area | 93.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.05392 |
| Heavy Atoms | 22 |
| Complexity | 838.16345 |
Chemical Identifiers
| CAS Number | 863459-03-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)SCC(=O)O)N=N2)F |
Product Overview
2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid (CAS 863459-03-4), with molecular formula C13H10FN5O2S and molecular weight 319.05 g/mol. IUPAC: 2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetic acid.
Chemical Property Profile of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid
Property Insights of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid
The XLogP value of 1.5854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid. The TPSA of 93.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid 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 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid?
The CAS number of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid is 863459-03-4.
What is the molecular formula of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid?
The molecular formula of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid is C13H10FN5O2S.
What is the molecular weight of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid?
The molecular weight of 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid is 319.05 g/mol.
Where can I buy 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid?
You can request a quote for 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.