ChemDiv2_006650
TL;DR: ChemDiv2_006650 (CAS 852153-53-8) is a chemical compound with molecular formula C23H21FN6O4S and molecular weight 496.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: ChemDiv2_006650, IDI1_005365, F0648-0599, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
| Molecular Formula | C23H21FN6O4S |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 2.5033 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.1329 |
| Heavy Atoms | 35 |
| Complexity | 1419.1447 |
Chemical Identifiers
| CAS Number | 852153-53-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3F)CC4=CC(=O)NC(=O)N4 |
Product Overview
ChemDiv2_006650 (CAS 852153-53-8), with molecular formula C23H21FN6O4S and molecular weight 496.13 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of ChemDiv2_006650
Property Insights of ChemDiv2_006650
The XLogP value of 2.5033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006650. The TPSA of 134.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006650. Following Lipinski's Rule of Five, ChemDiv2_006650 has 3 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 ChemDiv2_006650?
The CAS number of ChemDiv2_006650 is 852153-53-8.
What is the molecular formula of ChemDiv2_006650?
The molecular formula of ChemDiv2_006650 is C23H21FN6O4S.
What is the molecular weight of ChemDiv2_006650?
The molecular weight of ChemDiv2_006650 is 496.13 g/mol.
Where can I buy ChemDiv2_006650?
You can request a quote for ChemDiv2_006650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006650?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.