BRD-K81486878-001-01-5
TL;DR: BRD-K81486878-001-01-5 (CAS 266309-93-7) is a chemical compound with molecular formula C23H22ClN3OS and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: BRD-K81486878-001-01-5, 4-(4-Chlorophenyl)-2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-6-(methylthio)-5-pyrimidinecarbonitrile, 2-[(4-tert-Butylphenoxy)methyl]-4-(4-chlorophenyl)-6-(methylsulfanyl)pyrimidine-5-carbonitrile, 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile, 4-(4-chlorophenyl)-6-methylsulfanyl-2-[(4-tert-butylphenoxy)methyl]pyrimidine-5-carbonitrile
| Molecular Formula | C23H22ClN3OS |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 6.26708 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.11722 |
| Heavy Atoms | 29 |
| Complexity | 1035.9486 |
Chemical Identifiers
| CAS Number | 266309-93-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(C(=N2)SC)C#N)C3=CC=C(C=C3)Cl |
Product Overview
BRD-K81486878-001-01-5 (CAS 266309-93-7), with molecular formula C23H22ClN3OS and molecular weight 423.12 g/mol. IUPAC: 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of BRD-K81486878-001-01-5
Property Insights of BRD-K81486878-001-01-5
The XLogP value of 6.26708 indicates that BRD-K81486878-001-01-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, BRD-K81486878-001-01-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRD-K81486878-001-01-5 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-K81486878-001-01-5?
The CAS number of BRD-K81486878-001-01-5 is 266309-93-7.
What is the molecular formula of BRD-K81486878-001-01-5?
The molecular formula of BRD-K81486878-001-01-5 is C23H22ClN3OS.
What is the molecular weight of BRD-K81486878-001-01-5?
The molecular weight of BRD-K81486878-001-01-5 is 423.12 g/mol.
Where can I buy BRD-K81486878-001-01-5?
You can request a quote for BRD-K81486878-001-01-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K81486878-001-01-5?
Yes, KEHONG BIO provides custom synthesis services for BRD-K81486878-001-01-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.