BAS 01127353
TL;DR: BAS 01127353 (CAS 332110-14-2) is a chemical compound with molecular formula C40H28N4S2 and molecular weight 628.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]but-2-enylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
Also Known As: BAS 01127353, 2,2'-[But-2-ene-1,4-diylbis(sulfanediyl)]bis(4,6-diphenylpyridine-3-carbonitrile), 3-Pyridinecarbonitrile, 2,2'-[2-butene-1,4-diylbis(thio)]bis[4,6-diphenyl-, 3-Pyridinecarbonitrile, 2,2a(2)-[2-butene-1,4-diylbis(thio)]bis[4,6-diphenyl-, 2-[4-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbut-2-enylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
| Molecular Formula | C40H28N4S2 |
|---|---|
| Molecular Weight | 628.18 g/mol |
| LogP | 10.32856 |
| Topological Polar Surface Area | 73.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 628.17554 |
| Heavy Atoms | 46 |
| Complexity | 1898.6493 |
Chemical Identifiers
| CAS Number | 332110-14-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC=CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C6=CC=CC=C6 |
Product Overview
BAS 01127353 (CAS 332110-14-2), with molecular formula C40H28N4S2 and molecular weight 628.18 g/mol. IUPAC: 2-[4-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]but-2-enylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 01127353
Property Insights of BAS 01127353
The XLogP value of 10.32856 indicates that BAS 01127353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01127353. Following Lipinski's Rule of Five, BAS 01127353 has 0 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 01127353?
The CAS number of BAS 01127353 is 332110-14-2.
What is the molecular formula of BAS 01127353?
The molecular formula of BAS 01127353 is C40H28N4S2.
What is the molecular weight of BAS 01127353?
The molecular weight of BAS 01127353 is 628.18 g/mol.
Where can I buy BAS 01127353?
You can request a quote for BAS 01127353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01127353?
Yes, KEHONG BIO provides custom synthesis services for BAS 01127353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.