3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-
TL;DR: 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- (CAS 89451-39-8) is a chemical compound with molecular formula C18H13BrN2S and molecular weight 368.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
Also Known As: 1,2,3,4-Tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-, 4-(4-Bromophenyl)-6-phenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile, 4-(4-bromophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile, RefChem:1068594
| Molecular Formula | C18H13BrN2S |
|---|---|
| Molecular Weight | 368.00 g/mol |
| LogP | 4.64418 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.9983 |
| Heavy Atoms | 22 |
| Complexity | 759.9242 |
Chemical Identifiers
| CAS Number | 89451-39-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(C(C(=S)N2)C#N)C3=CC=C(C=C3)Br |
Product Overview
3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- (CAS 89451-39-8), with molecular formula C18H13BrN2S and molecular weight 368.00 g/mol. IUPAC: 4-(4-bromophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-
Property Insights of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-
The XLogP value of 4.64418 indicates that 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- has 1 hydrogen bond donor(s) and 2 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 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-?
The CAS number of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- is 89451-39-8.
What is the molecular formula of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-?
The molecular formula of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- is C18H13BrN2S.
What is the molecular weight of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-?
The molecular weight of 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- is 368.00 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-?
You can request a quote for 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-bromophenyl)-6-phenyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.