F0682-1136
TL;DR: F0682-1136 (CAS 863500-22-5) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(4-methylphenyl)acetamide
Also Known As: F0682-1136, 2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(4-methylphenyl)acetamide, 2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(p-tolyl)acetamide, 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(4-methylphenyl)acetamide
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.25832 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 1142.0752 |
Chemical Identifiers
| CAS Number | 863500-22-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)OC |
Product Overview
F0682-1136 (CAS 863500-22-5), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(4-methylphenyl)acetamide.
Chemical Property Profile of F0682-1136
Property Insights of F0682-1136
The XLogP value of 3.25832 indicates that F0682-1136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-1136. Following Lipinski's Rule of Five, F0682-1136 has 1 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 F0682-1136?
The CAS number of F0682-1136 is 863500-22-5.
What is the molecular formula of F0682-1136?
The molecular formula of F0682-1136 is C20H18N6O2S.
What is the molecular weight of F0682-1136?
The molecular weight of F0682-1136 is 406.12 g/mol.
Where can I buy F0682-1136?
You can request a quote for F0682-1136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-1136?
Yes, KEHONG BIO provides custom synthesis services for F0682-1136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.