BAS 00539256
TL;DR: BAS 00539256 (CAS 329707-35-9) is a chemical compound with molecular formula C21H19BrN4O2S and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: BAS 00539256, (E)-N'-(3-bromobenzylidene)-2-((3-(2-methylallyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, N'-[(E)-(3-bromophenyl)methylidene]-2-{[3-(2-methyl-2-propenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetohydrazide, N'-[(E)-(3-bromophenyl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(3-bromophenyl)-1-azavinyl]-2-[3-(2-methylprop-2-enyl)-4-oxo(3-hydro quinazolin-2-ylthio)]acetamide
| Molecular Formula | C21H19BrN4O2S |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 3.9775 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0412 |
| Heavy Atoms | 29 |
| Complexity | 1156.8715 |
Chemical Identifiers
| CAS Number | 329707-35-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC(=CC=C3)Br |
Product Overview
BAS 00539256 (CAS 329707-35-9), with molecular formula C21H19BrN4O2S and molecular weight 470.04 g/mol. IUPAC: N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of BAS 00539256
Property Insights of BAS 00539256
The XLogP value of 3.9775 indicates that BAS 00539256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00539256. Following Lipinski's Rule of Five, BAS 00539256 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00539256?
The CAS number of BAS 00539256 is 329707-35-9.
What is the molecular formula of BAS 00539256?
The molecular formula of BAS 00539256 is C21H19BrN4O2S.
What is the molecular weight of BAS 00539256?
The molecular weight of BAS 00539256 is 470.04 g/mol.
Where can I buy BAS 00539256?
You can request a quote for BAS 00539256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00539256?
Yes, KEHONG BIO provides custom synthesis services for BAS 00539256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.