ChemDiv3_003766
TL;DR: ChemDiv3_003766 (CAS 442571-79-1) is a chemical compound with molecular formula C20H25N3OS and molecular weight 355.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
Also Known As: ChemDiv3_003766, IDI1_021676, BAS 03787367, BRD-A91873180-001-01-7, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
| Molecular Formula | C20H25N3OS |
|---|---|
| Molecular Weight | 355.17 g/mol |
| LogP | 4.50454 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.17184 |
| Heavy Atoms | 25 |
| Complexity | 783.0283 |
Chemical Identifiers
| CAS Number | 442571-79-1 |
|---|---|
| SMILES | CC1CC(N(C2=CC=CC=C12)C(=O)CSC3=NC(=CC(=N3)C)C)(C)C |
Product Overview
ChemDiv3_003766 (CAS 442571-79-1), with molecular formula C20H25N3OS and molecular weight 355.17 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone.
Chemical Property Profile of ChemDiv3_003766
Property Insights of ChemDiv3_003766
The XLogP value of 4.50454 indicates that ChemDiv3_003766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, ChemDiv3_003766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003766 has 0 hydrogen bond donor(s) and 4 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_003766?
The CAS number of ChemDiv3_003766 is 442571-79-1.
What is the molecular formula of ChemDiv3_003766?
The molecular formula of ChemDiv3_003766 is C20H25N3OS.
What is the molecular weight of ChemDiv3_003766?
The molecular weight of ChemDiv3_003766 is 355.17 g/mol.
Where can I buy ChemDiv3_003766?
You can request a quote for ChemDiv3_003766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003766?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.