BAS 00897131
TL;DR: BAS 00897131 (CAS 332064-88-7) is a chemical compound with molecular formula C17H12ClN3O6 and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00897131, 5-[[5-(5-Chloro-2-nitrophenyl)-2-furanyl]methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{[5-(5-CHLORO-2-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-1,3-DIMETHYL-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C17H12ClN3O6 |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 2.942 |
| Topological Polar Surface Area | 113.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.04147 |
| Heavy Atoms | 27 |
| Complexity | 999.42615 |
Chemical Identifiers
| CAS Number | 332064-88-7 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C(=O)N(C1=O)C |
Product Overview
BAS 00897131 (CAS 332064-88-7), with molecular formula C17H12ClN3O6 and molecular weight 389.04 g/mol. IUPAC: 5-[[5-(5-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 00897131
Property Insights of BAS 00897131
The XLogP value of 2.942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00897131. The TPSA of 113.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00897131. Following Lipinski's Rule of Five, BAS 00897131 has 0 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 00897131?
The CAS number of BAS 00897131 is 332064-88-7.
What is the molecular formula of BAS 00897131?
The molecular formula of BAS 00897131 is C17H12ClN3O6.
What is the molecular weight of BAS 00897131?
The molecular weight of BAS 00897131 is 389.04 g/mol.
Where can I buy BAS 00897131?
You can request a quote for BAS 00897131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00897131?
Yes, KEHONG BIO provides custom synthesis services for BAS 00897131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.