ChemDiv1_003846
TL;DR: ChemDiv1_003846 (CAS 317324-73-5) is a chemical compound with molecular formula C17H15BrN2OS and molecular weight 374.01 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-4,5,6-trimethylpyridine-3-carbonitrile
Also Known As: ChemDiv1_003846, BAS 00589750, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile, 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
| Molecular Formula | C17H15BrN2OS |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 4.61604 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.00885 |
| Heavy Atoms | 22 |
| Complexity | 763.7089 |
Chemical Identifiers
| CAS Number | 317324-73-5 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)C2=CC=C(C=C2)Br)C#N)C |
Product Overview
ChemDiv1_003846 (CAS 317324-73-5), with molecular formula C17H15BrN2OS and molecular weight 374.01 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_003846
Property Insights of ChemDiv1_003846
The XLogP value of 4.61604 indicates that ChemDiv1_003846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, ChemDiv1_003846 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003846 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 ChemDiv1_003846?
The CAS number of ChemDiv1_003846 is 317324-73-5.
What is the molecular formula of ChemDiv1_003846?
The molecular formula of ChemDiv1_003846 is C17H15BrN2OS.
What is the molecular weight of ChemDiv1_003846?
The molecular weight of ChemDiv1_003846 is 374.01 g/mol.
Where can I buy ChemDiv1_003846?
You can request a quote for ChemDiv1_003846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003846?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.