ChemDiv3_009644
TL;DR: ChemDiv3_009644 (CAS 852154-66-6) is a chemical compound with molecular formula C20H21ClN6O3S and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv3_009644, IDI1_027554, BRD-K35033485-001-01-7, F0648-0803, 6-((4-(4-chlorophenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C20H21ClN6O3S |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 1.9927 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.10843 |
| Heavy Atoms | 31 |
| Complexity | 1152.3661 |
Chemical Identifiers
| CAS Number | 852154-66-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
ChemDiv3_009644 (CAS 852154-66-6), with molecular formula C20H21ClN6O3S and molecular weight 460.11 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_009644
Property Insights of ChemDiv3_009644
The XLogP value of 1.9927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009644. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009644. Following Lipinski's Rule of Five, ChemDiv3_009644 has 2 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_009644?
The CAS number of ChemDiv3_009644 is 852154-66-6.
What is the molecular formula of ChemDiv3_009644?
The molecular formula of ChemDiv3_009644 is C20H21ClN6O3S.
What is the molecular weight of ChemDiv3_009644?
The molecular weight of ChemDiv3_009644 is 460.11 g/mol.
Where can I buy ChemDiv3_009644?
You can request a quote for ChemDiv3_009644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009644?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.