BAS 00539249
TL;DR: BAS 00539249 (CAS 329709-05-9) is a chemical compound with molecular formula C21H19N5O4S and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Also Known As: BAS 00539249, (E)-2-((3-(2-methylallyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide, 2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide, 2-{[3-(2-methyl-2-propenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide, 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
| Molecular Formula | C21H19N5O4S |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 3.1232 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.11578 |
| Heavy Atoms | 31 |
| Complexity | 1251.9938 |
Chemical Identifiers
| CAS Number | 329709-05-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 00539249 (CAS 329709-05-9), with molecular formula C21H19N5O4S and molecular weight 437.12 g/mol. IUPAC: 2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 00539249
Property Insights of BAS 00539249
The XLogP value of 3.1232 indicates that BAS 00539249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00539249. Following Lipinski's Rule of Five, BAS 00539249 has 1 hydrogen bond donor(s) and 7 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 00539249?
The CAS number of BAS 00539249 is 329709-05-9.
What is the molecular formula of BAS 00539249?
The molecular formula of BAS 00539249 is C21H19N5O4S.
What is the molecular weight of BAS 00539249?
The molecular weight of BAS 00539249 is 437.12 g/mol.
Where can I buy BAS 00539249?
You can request a quote for BAS 00539249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00539249?
Yes, KEHONG BIO provides custom synthesis services for BAS 00539249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.