BAS 01360092
TL;DR: BAS 01360092 (CAS 332355-73-4) is a chemical compound with molecular formula C31H26N4O2S and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(E)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile
Also Known As: BAS 01360092, 2-({3-[(1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile, 2-[[3-[(E)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile, (E)-2-((3-((1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile, 2-[(3-{(E)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
| Molecular Formula | C31H26N4O2S |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 5.73518 |
| Topological Polar Surface Area | 78.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.1777 |
| Heavy Atoms | 38 |
| Complexity | 1625.8942 |
Chemical Identifiers
| CAS Number | 332355-73-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5C#N)/C(=O)NC2=S |
Product Overview
BAS 01360092 (CAS 332355-73-4), with molecular formula C31H26N4O2S and molecular weight 518.18 g/mol. IUPAC: 2-[[3-[(E)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile.
Chemical Property Profile of BAS 01360092
Property Insights of BAS 01360092
The XLogP value of 5.73518 indicates that BAS 01360092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01360092. Following Lipinski's Rule of Five, BAS 01360092 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01360092?
The CAS number of BAS 01360092 is 332355-73-4.
What is the molecular formula of BAS 01360092?
The molecular formula of BAS 01360092 is C31H26N4O2S.
What is the molecular weight of BAS 01360092?
The molecular weight of BAS 01360092 is 518.18 g/mol.
Where can I buy BAS 01360092?
You can request a quote for BAS 01360092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01360092?
Yes, KEHONG BIO provides custom synthesis services for BAS 01360092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.