NCIOpen2_008451
TL;DR: NCIOpen2_008451 (CAS 877-80-5) is a chemical compound with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[5-[(4-methyl-5-oxofuran-2-ylidene)amino]naphthalen-1-yl]iminofuran-2-one
Also Known As: NCIOpen2_008451, KST-1A8682, 3-Methyl-5-((5-((4-methyl-5-oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone, (5e,5'z)-5,5'-(naphthalene-1,5-diyldinitrilo)bis(3-methylfuran-2(5h)-one), 3-methyl-5-[5-[(4-methyl-5-oxofuran-2-ylidene)amino]naphthal
| Molecular Formula | C20H14N2O4 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.09537 |
| Heavy Atoms | 26 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 877-80-5 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC3=C2C=CC=C3N=C4C=C(C(=O)O4)C)OC1=O |
| InChIKey | ZAVKPEYNHNIRKS-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008451 (CAS 877-80-5), with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol. IUPAC: 3-methyl-5-[5-[(4-methyl-5-oxofuran-2-ylidene)amino]naphthalen-1-yl]iminofuran-2-one.
Chemical Property Profile of NCIOpen2_008451
Property Insights of NCIOpen2_008451
The XLogP value of 3.5 indicates that NCIOpen2_008451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008451. Following Lipinski's Rule of Five, NCIOpen2_008451 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 NCIOpen2_008451?
The CAS number of NCIOpen2_008451 is 877-80-5.
What is the molecular formula of NCIOpen2_008451?
The molecular formula of NCIOpen2_008451 is C20H14N2O4.
What is the molecular weight of NCIOpen2_008451?
The molecular weight of NCIOpen2_008451 is 346.10 g/mol.
Where can I buy NCIOpen2_008451?
You can request a quote for NCIOpen2_008451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008451?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.