BAS 00635026
TL;DR: BAS 00635026 (CAS 197569-89-4) is a chemical compound with molecular formula C14H13BrN2OS and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00635026, BIM-0015455.P001, 4-(4-bromophenyl)-2-(ethylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-bromophenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-bromophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C14H13BrN2OS |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 3.54088 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.9932 |
| Heavy Atoms | 19 |
| Complexity | 559.80383 |
Chemical Identifiers
| CAS Number | 197569-89-4 |
|---|---|
| SMILES | CCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Br)C#N |
Product Overview
BAS 00635026 (CAS 197569-89-4), with molecular formula C14H13BrN2OS and molecular weight 335.99 g/mol. IUPAC: 4-(4-bromophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00635026
Property Insights of BAS 00635026
The XLogP value of 3.54088 indicates that BAS 00635026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00635026 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00635026 has 1 hydrogen bond donor(s) and 3 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 00635026?
The CAS number of BAS 00635026 is 197569-89-4.
What is the molecular formula of BAS 00635026?
The molecular formula of BAS 00635026 is C14H13BrN2OS.
What is the molecular weight of BAS 00635026?
The molecular weight of BAS 00635026 is 335.99 g/mol.
Where can I buy BAS 00635026?
You can request a quote for BAS 00635026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635026?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.