AE-848/11419377
TL;DR: AE-848/11419377 (CAS 312946-25-1) is a chemical compound with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-1-(4-methylphenyl)-4-(2-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: AE-848/11419377, 6-amino-3-methyl-1-(4-methylphenyl)-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-3-METHYL-1-(4-METHYLPHENYL)-4-(2-NITROPHENYL)-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE, 6-amino-3-methyl-1-(4-methylphenyl)-4-(2-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(2-nitrophenyl)-1-(p-tolyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H17N5O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.61552 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.13315 |
| Heavy Atoms | 29 |
| Complexity | 1202.0448 |
Chemical Identifiers
| CAS Number | 312946-25-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4[N+](=O)[O-])C(=N2)C |
Product Overview
AE-848/11419377 (CAS 312946-25-1), with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol. IUPAC: 6-amino-3-methyl-1-(4-methylphenyl)-4-(2-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of AE-848/11419377
Property Insights of AE-848/11419377
The XLogP value of 3.61552 indicates that AE-848/11419377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11419377. Following Lipinski's Rule of Five, AE-848/11419377 has 1 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 AE-848/11419377?
The CAS number of AE-848/11419377 is 312946-25-1.
What is the molecular formula of AE-848/11419377?
The molecular formula of AE-848/11419377 is C21H17N5O3.
What is the molecular weight of AE-848/11419377?
The molecular weight of AE-848/11419377 is 387.13 g/mol.
Where can I buy AE-848/11419377?
You can request a quote for AE-848/11419377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11419377?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11419377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.