F0682-1214
TL;DR: F0682-1214 (CAS 863500-89-4) is a chemical compound with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
Also Known As: F0682-1214, methyl 2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetate, methyl 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate, methyl 2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetate
| Molecular Formula | C14H13N5O3S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 1.4842 |
| Topological Polar Surface Area | 92.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0739 |
| Heavy Atoms | 23 |
| Complexity | 834.0499 |
Chemical Identifiers
| CAS Number | 863500-89-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)OC)N=N2 |
Product Overview
F0682-1214 (CAS 863500-89-4), with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol. IUPAC: methyl 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate.
Chemical Property Profile of F0682-1214
Property Insights of F0682-1214
The XLogP value of 1.4842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-1214. The TPSA of 92.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-1214. Following Lipinski's Rule of Five, F0682-1214 has 0 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 F0682-1214?
The CAS number of F0682-1214 is 863500-89-4.
What is the molecular formula of F0682-1214?
The molecular formula of F0682-1214 is C14H13N5O3S.
What is the molecular weight of F0682-1214?
The molecular weight of F0682-1214 is 331.07 g/mol.
Where can I buy F0682-1214?
You can request a quote for F0682-1214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-1214?
Yes, KEHONG BIO provides custom synthesis services for F0682-1214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.