ChemDiv3_011372
TL;DR: ChemDiv3_011372 (CAS 863458-30-4) is a chemical compound with molecular formula C19H14FN5OS and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-phenylethanone
Also Known As: ChemDiv3_011372, IDI1_028930, BRD-K19043344-001-01-7, F0682-0330, 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-phenylethanone
| Molecular Formula | C19H14FN5OS |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 3.3837 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0903 |
| Heavy Atoms | 27 |
| Complexity | 1082.4192 |
Chemical Identifiers
| CAS Number | 863458-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
ChemDiv3_011372 (CAS 863458-30-4), with molecular formula C19H14FN5OS and molecular weight 379.09 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-phenylethanone.
Chemical Property Profile of ChemDiv3_011372
Property Insights of ChemDiv3_011372
The XLogP value of 3.3837 indicates that ChemDiv3_011372 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011372. Following Lipinski's Rule of Five, ChemDiv3_011372 has 0 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 ChemDiv3_011372?
The CAS number of ChemDiv3_011372 is 863458-30-4.
What is the molecular formula of ChemDiv3_011372?
The molecular formula of ChemDiv3_011372 is C19H14FN5OS.
What is the molecular weight of ChemDiv3_011372?
The molecular weight of ChemDiv3_011372 is 379.09 g/mol.
Where can I buy ChemDiv3_011372?
You can request a quote for ChemDiv3_011372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011372?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.