2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
TL;DR: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile (CAS 314033-99-3) is a chemical compound with molecular formula C24H19BrN2O2S and molecular weight 478.04 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-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
Also Known As: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile, F0729-0062, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile, 2-[(p-bromobenzoyl)methylthio]-6-cyclopropyl-4-(p-methoxyphenyl)nicotinonitrile
| Molecular Formula | C24H19BrN2O2S |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 6.24378 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.03506 |
| Heavy Atoms | 30 |
| Complexity | 1117.6831 |
Chemical Identifiers
| CAS Number | 314033-99-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)C4CC4 |
Product Overview
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile (CAS 314033-99-3), with molecular formula C24H19BrN2O2S and molecular weight 478.04 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
Property Insights of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
The XLogP value of 6.24378 indicates that 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile 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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile?
The CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile is 314033-99-3.
What is the molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile?
The molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile is C24H19BrN2O2S.
What is the molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile?
The molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile is 478.04 g/mol.
Where can I buy 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile?
You can request a quote for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.