BAS 07416501
TL;DR: BAS 07416501 (CAS 328068-69-5) is a chemical compound with molecular formula C17H13ClN2O2S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
Also Known As: BAS 07416501, 5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile, A0441/0020393, 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile, 5-acetyl-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile
| Molecular Formula | C17H13ClN2O2S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.03864 |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 328068-69-5 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)C(=O)C |
| InChIKey | BRRZLTCZTIHYCA-UHFFFAOYSA-N |
Product Overview
BAS 07416501 (CAS 328068-69-5), with molecular formula C17H13ClN2O2S and molecular weight 344.04 g/mol. IUPAC: 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 07416501
Property Insights of BAS 07416501
The XLogP value of 3.5 indicates that BAS 07416501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416501. Following Lipinski's Rule of Five, BAS 07416501 has 0 hydrogen bond donor(s) and 5 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 07416501?
The CAS number of BAS 07416501 is 328068-69-5.
What is the molecular formula of BAS 07416501?
The molecular formula of BAS 07416501 is C17H13ClN2O2S.
What is the molecular weight of BAS 07416501?
The molecular weight of BAS 07416501 is 344.04 g/mol.
Where can I buy BAS 07416501?
You can request a quote for BAS 07416501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416501?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.