AB00111000-01
TL;DR: AB00111000-01 (CAS 6584-17-4) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: AB00111000-01, 1,3-dimethyl-5-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione, 1,3-DIMETHYL-5-{[5-(4-METHYLPIPERAZIN-1-YL)FURAN-2-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C16H20N4O4 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 0.4652 |
| Topological Polar Surface Area | 77.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.14847 |
| Heavy Atoms | 24 |
| Complexity | 689.41455 |
Chemical Identifiers
| CAS Number | 6584-17-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=C(O2)C=C3C(=O)N(C(=O)N(C3=O)C)C |
Product Overview
AB00111000-01 (CAS 6584-17-4), with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol. IUPAC: 1,3-dimethyl-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00111000-01
Property Insights of AB00111000-01
The XLogP value of 0.4652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00111000-01. The TPSA of 77.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111000-01. Following Lipinski's Rule of Five, AB00111000-01 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 AB00111000-01?
The CAS number of AB00111000-01 is 6584-17-4.
What is the molecular formula of AB00111000-01?
The molecular formula of AB00111000-01 is C16H20N4O4.
What is the molecular weight of AB00111000-01?
The molecular weight of AB00111000-01 is 332.15 g/mol.
Where can I buy AB00111000-01?
You can request a quote for AB00111000-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111000-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111000-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.