ChemDiv2_006520
TL;DR: ChemDiv2_006520 (CAS 852046-90-3) is a chemical compound with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv2_006520, IDI1_005235, F0648-0065, N-cyclopentyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-cyclopentyl-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H22N6O3S |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 1.3856 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1474 |
| Heavy Atoms | 30 |
| Complexity | 1102.9387 |
Chemical Identifiers
| CAS Number | 852046-90-3 |
|---|---|
| SMILES | C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
ChemDiv2_006520 (CAS 852046-90-3), with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol. IUPAC: N-cyclopentyl-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv2_006520
Property Insights of ChemDiv2_006520
The XLogP value of 1.3856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006520. The TPSA of 125.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006520. Following Lipinski's Rule of Five, ChemDiv2_006520 has 3 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 ChemDiv2_006520?
The CAS number of ChemDiv2_006520 is 852046-90-3.
What is the molecular formula of ChemDiv2_006520?
The molecular formula of ChemDiv2_006520 is C20H22N6O3S.
What is the molecular weight of ChemDiv2_006520?
The molecular weight of ChemDiv2_006520 is 426.15 g/mol.
Where can I buy ChemDiv2_006520?
You can request a quote for ChemDiv2_006520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006520?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.