BAS 00866136
TL;DR: BAS 00866136 (CAS 330181-47-0) is a chemical compound with molecular formula C15H15ClN2OS and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866136, AB00080415-01, 4-(2-chlorophenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(2-chlorophenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(2-chlorophenyl)-6-oxo-2-(propylthio)-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C15H15ClN2OS |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 3.82188 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.05936 |
| Heavy Atoms | 20 |
| Complexity | 591.7815 |
Chemical Identifiers
| CAS Number | 330181-47-0 |
|---|---|
| SMILES | CCCSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N |
Product Overview
BAS 00866136 (CAS 330181-47-0), with molecular formula C15H15ClN2OS and molecular weight 306.06 g/mol. IUPAC: 4-(2-chlorophenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866136
Property Insights of BAS 00866136
The XLogP value of 3.82188 indicates that BAS 00866136 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 00866136 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00866136 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 00866136?
The CAS number of BAS 00866136 is 330181-47-0.
What is the molecular formula of BAS 00866136?
The molecular formula of BAS 00866136 is C15H15ClN2OS.
What is the molecular weight of BAS 00866136?
The molecular weight of BAS 00866136 is 306.06 g/mol.
Where can I buy BAS 00866136?
You can request a quote for BAS 00866136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866136?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.