ChemDiv3_009600
TL;DR: ChemDiv3_009600 (CAS 852154-44-0) is a chemical compound with molecular formula C20H14ClF2N5O2S and molecular weight 461.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv3_009600, IDI1_027510, BRD-K02624495-001-01-0, F0648-0770, 6-((5-((2-chloro-6-fluorobenzyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C20H14ClF2N5O2S |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | 3.4586 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.0525 |
| Heavy Atoms | 31 |
| Complexity | 1302.4302 |
Chemical Identifiers
| CAS Number | 852154-44-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)F |
Product Overview
ChemDiv3_009600 (CAS 852154-44-0), with molecular formula C20H14ClF2N5O2S and molecular weight 461.05 g/mol. IUPAC: 6-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_009600
Property Insights of ChemDiv3_009600
The XLogP value of 3.4586 indicates that ChemDiv3_009600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009600. Following Lipinski's Rule of Five, ChemDiv3_009600 has 2 hydrogen bond donor(s) and 5 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_009600?
The CAS number of ChemDiv3_009600 is 852154-44-0.
What is the molecular formula of ChemDiv3_009600?
The molecular formula of ChemDiv3_009600 is C20H14ClF2N5O2S.
What is the molecular weight of ChemDiv3_009600?
The molecular weight of ChemDiv3_009600 is 461.05 g/mol.
Where can I buy ChemDiv3_009600?
You can request a quote for ChemDiv3_009600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009600?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.