BAS 01279664
TL;DR: BAS 01279664 (CAS 212843-52-2) is a chemical compound with molecular formula C25H22N4OS and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-methylpropyl)-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
Also Known As: BAS 01279664, 2-amino-6-{[2-(4-biphenylyl)-2-oxoethyl]thio}-4-isobutyl-3,5-pyridinedicarbonitrile, 2-((2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)thio)-6-amino-4-isobutylpyridine-3,5-dicarbonitrile, 2-amino-4-(2-methylpropyl)-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile, 2-amino-6-{[2-(biphenyl-4-yl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C25H22N4OS |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 5.24766 |
| Topological Polar Surface Area | 103.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.15143 |
| Heavy Atoms | 31 |
| Complexity | 1173.3744 |
Chemical Identifiers
| CAS Number | 212843-52-2 |
|---|---|
| SMILES | CC(C)CC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N |
Product Overview
BAS 01279664 (CAS 212843-52-2), with molecular formula C25H22N4OS and molecular weight 426.15 g/mol. IUPAC: 2-amino-4-(2-methylpropyl)-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of BAS 01279664
Property Insights of BAS 01279664
The XLogP value of 5.24766 indicates that BAS 01279664 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.56 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01279664. Following Lipinski's Rule of Five, BAS 01279664 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01279664?
The CAS number of BAS 01279664 is 212843-52-2.
What is the molecular formula of BAS 01279664?
The molecular formula of BAS 01279664 is C25H22N4OS.
What is the molecular weight of BAS 01279664?
The molecular weight of BAS 01279664 is 426.15 g/mol.
Where can I buy BAS 01279664?
You can request a quote for BAS 01279664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01279664?
Yes, KEHONG BIO provides custom synthesis services for BAS 01279664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.