BAS 00539243
TL;DR: BAS 00539243 (CAS 328076-74-0) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: BAS 00539243, N'-[(E)-(4-methoxyphenyl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide, (E)-N'-(4-methoxybenzylidene)-2-((3-(2-methylallyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, N-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]-2-[3-(2-methylprop-2-enyl)-4-oxo(3-hyd roquinazolin-2-ylthio)]acetamide, N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.2236 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1153.2516 |
Chemical Identifiers
| CAS Number | 328076-74-0 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC=C(C=C3)OC |
Product Overview
BAS 00539243 (CAS 328076-74-0), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of BAS 00539243
Property Insights of BAS 00539243
The XLogP value of 3.2236 indicates that BAS 00539243 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00539243. Following Lipinski's Rule of Five, BAS 00539243 has 1 hydrogen bond donor(s) and 6 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 00539243?
The CAS number of BAS 00539243 is 328076-74-0.
What is the molecular formula of BAS 00539243?
The molecular formula of BAS 00539243 is C22H22N4O3S.
What is the molecular weight of BAS 00539243?
The molecular weight of BAS 00539243 is 422.14 g/mol.
Where can I buy BAS 00539243?
You can request a quote for BAS 00539243 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00539243?
Yes, KEHONG BIO provides custom synthesis services for BAS 00539243 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.