BAS 00886058
TL;DR: BAS 00886058 (CAS 330843-63-5) is a chemical compound with molecular formula C21H12ClN3O6 and molecular weight 437.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-chlorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00886058, BIM-0002169.P001, (5Z)-1-(4-chlorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-chlorophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-1-(4-CHLOROPHENYL)-5-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C21H12ClN3O6 |
|---|---|
| Molecular Weight | 437.04 g/mol |
| LogP | 4.1746 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.04147 |
| Heavy Atoms | 31 |
| Complexity | 1262.1293 |
Chemical Identifiers
| CAS Number | 330843-63-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
BAS 00886058 (CAS 330843-63-5), with molecular formula C21H12ClN3O6 and molecular weight 437.04 g/mol. IUPAC: (5Z)-1-(4-chlorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 00886058
Property Insights of BAS 00886058
The XLogP value of 4.1746 indicates that BAS 00886058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00886058. Following Lipinski's Rule of Five, BAS 00886058 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 00886058?
The CAS number of BAS 00886058 is 330843-63-5.
What is the molecular formula of BAS 00886058?
The molecular formula of BAS 00886058 is C21H12ClN3O6.
What is the molecular weight of BAS 00886058?
The molecular weight of BAS 00886058 is 437.04 g/mol.
Where can I buy BAS 00886058?
You can request a quote for BAS 00886058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00886058?
Yes, KEHONG BIO provides custom synthesis services for BAS 00886058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.