BAS 00431511
TL;DR: BAS 00431511 (CAS 330447-60-4) is a chemical compound with molecular formula C28H14N4OS2 and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(3,4-dicyanophenyl)sulfanylphenoxy]phenyl]sulfanylbenzene-1,2-dicarbonitrile
Also Known As: BAS 00431511, 4,4'-[Oxybis(4,1-phenylenethio)]diphthalonitrile, 4,4'-[oxybis(benzene-4,1-diylsulfanediyl)]dibenzene-1,2-dicarbonitrile, N0001-022061, 4,4'-((oxybis(4,1-phenylene))bis(sulfanediyl))diphthalonitrile
| Molecular Formula | C28H14N4OS2 |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 7.26802 |
| Topological Polar Surface Area | 104.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.0609 |
| Heavy Atoms | 35 |
| Complexity | 1433.0441 |
Chemical Identifiers
| CAS Number | 330447-60-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=CC=C(C=C2)SC3=CC(=C(C=C3)C#N)C#N)SC4=CC(=C(C=C4)C#N)C#N |
Product Overview
BAS 00431511 (CAS 330447-60-4), with molecular formula C28H14N4OS2 and molecular weight 486.06 g/mol. IUPAC: 4-[4-[4-(3,4-dicyanophenyl)sulfanylphenoxy]phenyl]sulfanylbenzene-1,2-dicarbonitrile.
Chemical Property Profile of BAS 00431511
Property Insights of BAS 00431511
The XLogP value of 7.26802 indicates that BAS 00431511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00431511. Following Lipinski's Rule of Five, BAS 00431511 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00431511?
The CAS number of BAS 00431511 is 330447-60-4.
What is the molecular formula of BAS 00431511?
The molecular formula of BAS 00431511 is C28H14N4OS2.
What is the molecular weight of BAS 00431511?
The molecular weight of BAS 00431511 is 486.06 g/mol.
Where can I buy BAS 00431511?
You can request a quote for BAS 00431511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00431511?
Yes, KEHONG BIO provides custom synthesis services for BAS 00431511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.