BAS 00536360
TL;DR: BAS 00536360 (CAS 305862-90-2) is a chemical compound with molecular formula C26H22N4O2S2 and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]phenyl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
Also Known As: BAS 00536360, A1849/0077804, 2,2'-{1,4-phenylenebis[(2-oxoethane-2,1-diyl)thio]}bis(4,6-dimethylnicotinonitrile), 2,2'-((1,4-phenylenebis(2-oxoethane-2,1-diyl))bis(sulfanediyl))bis(4,6-dimethylnicotinonitrile), 2,2'-{benzene-1,4-diylbis[(2-oxoethane-2,1-diyl)sulfanediyl]}bis(4,6-dimethylpyridine-3-carbonitrile)
| Molecular Formula | C26H22N4O2S2 |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 5.40364 |
| Topological Polar Surface Area | 107.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.1184 |
| Heavy Atoms | 34 |
| Complexity | 1248.6843 |
Chemical Identifiers
| CAS Number | 305862-90-2 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C)C)C#N)C |
Product Overview
BAS 00536360 (CAS 305862-90-2), with molecular formula C26H22N4O2S2 and molecular weight 486.12 g/mol. IUPAC: 2-[2-[4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]phenyl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 00536360
Property Insights of BAS 00536360
The XLogP value of 5.40364 indicates that BAS 00536360 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00536360. Following Lipinski's Rule of Five, BAS 00536360 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00536360?
The CAS number of BAS 00536360 is 305862-90-2.
What is the molecular formula of BAS 00536360?
The molecular formula of BAS 00536360 is C26H22N4O2S2.
What is the molecular weight of BAS 00536360?
The molecular weight of BAS 00536360 is 486.12 g/mol.
Where can I buy BAS 00536360?
You can request a quote for BAS 00536360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00536360?
Yes, KEHONG BIO provides custom synthesis services for BAS 00536360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.