ChemDiv1_010892
TL;DR: ChemDiv1_010892 (CAS 221052-15-9) is a chemical compound with molecular formula C20H15BrN2O2S and molecular weight 426.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
Also Known As: ChemDiv1_010892, AE-848/32950010, A0728/0033968, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-methyl-4-(5-methylfuran-2-yl)nicotinonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(5-methyl-2-furyl)nicotinonitrile
| Molecular Formula | C20H15BrN2O2S |
|---|---|
| Molecular Weight | 426.00 g/mol |
| LogP | 5.56762 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.00375 |
| Heavy Atoms | 26 |
| Complexity | 1003.6409 |
Chemical Identifiers
| CAS Number | 221052-15-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=C(C(=NC(=C2)C)SCC(=O)C3=CC=C(C=C3)Br)C#N |
Product Overview
ChemDiv1_010892 (CAS 221052-15-9), with molecular formula C20H15BrN2O2S and molecular weight 426.00 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_010892
Property Insights of ChemDiv1_010892
The XLogP value of 5.56762 indicates that ChemDiv1_010892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010892. Following Lipinski's Rule of Five, ChemDiv1_010892 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 ChemDiv1_010892?
The CAS number of ChemDiv1_010892 is 221052-15-9.
What is the molecular formula of ChemDiv1_010892?
The molecular formula of ChemDiv1_010892 is C20H15BrN2O2S.
What is the molecular weight of ChemDiv1_010892?
The molecular weight of ChemDiv1_010892 is 426.00 g/mol.
Where can I buy ChemDiv1_010892?
You can request a quote for ChemDiv1_010892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010892?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.