BAS 00589752
TL;DR: BAS 00589752 (CAS 316358-85-7) 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.
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: BAS 00589752, BIM-0034215.P001, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-(methylsulfanyl)pyridine-3-carbonitrile, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile, 5-(2-(4-bromophenyl)-2-oxoethyl)-4,6-dimethyl-2-(methylthio)nicotinonitrile
| Molecular Formula | C17H15BrN2OS |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 4.47992 |
| 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 | 316358-85-7 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1C#N)SC)C)CC(=O)C2=CC=C(C=C2)Br |
Product Overview
BAS 00589752 (CAS 316358-85-7), with molecular formula C17H15BrN2OS and molecular weight 374.01 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 00589752
Property Insights of BAS 00589752
The XLogP value of 4.47992 indicates that BAS 00589752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, BAS 00589752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00589752 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 BAS 00589752?
The CAS number of BAS 00589752 is 316358-85-7.
What is the molecular formula of BAS 00589752?
The molecular formula of BAS 00589752 is C17H15BrN2OS.
What is the molecular weight of BAS 00589752?
The molecular weight of BAS 00589752 is 374.01 g/mol.
Where can I buy BAS 00589752?
You can request a quote for BAS 00589752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00589752?
Yes, KEHONG BIO provides custom synthesis services for BAS 00589752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.