F0682-0421
TL;DR: F0682-0421 (CAS 863458-99-5) is a chemical compound with molecular formula C18H14FN5O3S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: F0682-0421, methyl 5-[({3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)methyl]furan-2-carboxylate, methyl 5-(((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-({3-[(o-fluorophenyl)methyl]-1,2,3,4,6-pentaaza-3H-inden-7-ylthio}methyl)-2-furoate
| Molecular Formula | C18H14FN5O3S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.0806 |
| Topological Polar Surface Area | 95.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.08014 |
| Heavy Atoms | 28 |
| Complexity | 1143.171 |
Chemical Identifiers
| CAS Number | 863458-99-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4F |
Product Overview
F0682-0421 (CAS 863458-99-5), with molecular formula C18H14FN5O3S and molecular weight 399.08 g/mol. IUPAC: methyl 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of F0682-0421
Property Insights of F0682-0421
The XLogP value of 3.0806 indicates that F0682-0421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.93 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0421. Following Lipinski's Rule of Five, F0682-0421 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 F0682-0421?
The CAS number of F0682-0421 is 863458-99-5.
What is the molecular formula of F0682-0421?
The molecular formula of F0682-0421 is C18H14FN5O3S.
What is the molecular weight of F0682-0421?
The molecular weight of F0682-0421 is 399.08 g/mol.
Where can I buy F0682-0421?
You can request a quote for F0682-0421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0421?
Yes, KEHONG BIO provides custom synthesis services for F0682-0421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.