AB00097919-01
TL;DR: AB00097919-01 (CAS 1164539-04-1) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: AB00097919-01, (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione, 5-[3-(2-furyl)-2-propen-1-ylidene]-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 2.81062 |
| Topological Polar Surface Area | 79.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 845.65375 |
Chemical Identifiers
| CAS Number | 1164539-04-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CO3)/C(=O)NC2=O |
Product Overview
AB00097919-01 (CAS 1164539-04-1), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00097919-01
Property Insights of AB00097919-01
The XLogP value of 2.81062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097919-01. The TPSA of 79.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097919-01. Following Lipinski's Rule of Five, AB00097919-01 has 1 hydrogen bond donor(s) and 4 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 AB00097919-01?
The CAS number of AB00097919-01 is 1164539-04-1.
What is the molecular formula of AB00097919-01?
The molecular formula of AB00097919-01 is C18H14N2O4.
What is the molecular weight of AB00097919-01?
The molecular weight of AB00097919-01 is 322.10 g/mol.
Where can I buy AB00097919-01?
You can request a quote for AB00097919-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097919-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097919-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.