F0682-1227
TL;DR: F0682-1227 (CAS 863500-97-4) is a chemical compound with molecular formula C19H14ClN5O2S and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: F0682-1227, 1-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one, 1-(4-chlorophenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone, 1-(4-chlorophenyl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
| Molecular Formula | C19H14ClN5O2S |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 3.8475 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.05566 |
| Heavy Atoms | 28 |
| Complexity | 1129.4952 |
Chemical Identifiers
| CAS Number | 863500-97-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)C4=CC=C(C=C4)Cl)N=N2 |
Product Overview
F0682-1227 (CAS 863500-97-4), with molecular formula C19H14ClN5O2S and molecular weight 411.06 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of F0682-1227
Property Insights of F0682-1227
The XLogP value of 3.8475 indicates that F0682-1227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-1227. Following Lipinski's Rule of Five, F0682-1227 has 0 hydrogen bond donor(s) and 7 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 F0682-1227?
The CAS number of F0682-1227 is 863500-97-4.
What is the molecular formula of F0682-1227?
The molecular formula of F0682-1227 is C19H14ClN5O2S.
What is the molecular weight of F0682-1227?
The molecular weight of F0682-1227 is 411.06 g/mol.
Where can I buy F0682-1227?
You can request a quote for F0682-1227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-1227?
Yes, KEHONG BIO provides custom synthesis services for F0682-1227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.