AE-848/31943061
TL;DR: AE-848/31943061 (CAS 332391-40-9) is a chemical compound with molecular formula C13H12FN3O5 and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
Also Known As: AE-848/31943061, 5-Fluoro-1-(4-methoxy-3-nitro-benzyl)-3-methyl-1H-pyrimidine-2,4-dione, 5-fluoro-1-(4-methoxy-3-nitrobenzyl)-3-methylpyrimidine-2,4(1H,3H)-dione, 5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione, 5-fluoro-1-(4-methoxy-3-nitrobenzyl)-3-methyl-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C13H12FN3O5 |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 0.6512 |
| Topological Polar Surface Area | 96.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0761 |
| Heavy Atoms | 22 |
| Complexity | 855.7297 |
Chemical Identifiers
| CAS Number | 332391-40-9 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])F |
Product Overview
AE-848/31943061 (CAS 332391-40-9), with molecular formula C13H12FN3O5 and molecular weight 309.08 g/mol. IUPAC: 5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione.
Chemical Property Profile of AE-848/31943061
Property Insights of AE-848/31943061
The XLogP value of 0.6512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31943061. The TPSA of 96.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/31943061. Following Lipinski's Rule of Five, AE-848/31943061 has 0 hydrogen bond donor(s) and 5 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 AE-848/31943061?
The CAS number of AE-848/31943061 is 332391-40-9.
What is the molecular formula of AE-848/31943061?
The molecular formula of AE-848/31943061 is C13H12FN3O5.
What is the molecular weight of AE-848/31943061?
The molecular weight of AE-848/31943061 is 309.08 g/mol.
Where can I buy AE-848/31943061?
You can request a quote for AE-848/31943061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31943061?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31943061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.