F0239-1042
TL;DR: F0239-1042 (CAS 301357-22-2) is a chemical compound with molecular formula C13H12N4O6 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-cyano-2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]acetate
Also Known As: F0239-1042, AE-848/34304032, (Z)-ethyl 2-cyano-2-(2-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)hydrazono)acetate, ethyl (2Z)-2-cyano-2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]acetate, ethyl cyano({7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl}hydrazono)acetate
| Molecular Formula | C13H12N4O6 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 1.22058 |
| Topological Polar Surface Area | 136.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.07568 |
| Heavy Atoms | 23 |
| Complexity | 709.1517 |
Chemical Identifiers
| CAS Number | 301357-22-2 |
|---|---|
| SMILES | CCOC(=O)/C(=N\NC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)/C#N |
Product Overview
F0239-1042 (CAS 301357-22-2), with molecular formula C13H12N4O6 and molecular weight 320.08 g/mol. IUPAC: ethyl (2Z)-2-cyano-2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]acetate.
Chemical Property Profile of F0239-1042
Property Insights of F0239-1042
The XLogP value of 1.22058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0239-1042. The TPSA of 136.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F0239-1042. Following Lipinski's Rule of Five, F0239-1042 has 1 hydrogen bond donor(s) and 9 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 F0239-1042?
The CAS number of F0239-1042 is 301357-22-2.
What is the molecular formula of F0239-1042?
The molecular formula of F0239-1042 is C13H12N4O6.
What is the molecular weight of F0239-1042?
The molecular weight of F0239-1042 is 320.08 g/mol.
Where can I buy F0239-1042?
You can request a quote for F0239-1042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0239-1042?
Yes, KEHONG BIO provides custom synthesis services for F0239-1042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.