AE-848/37018286
TL;DR: AE-848/37018286 (CAS 342591-45-1) is a chemical compound with molecular formula C21H16Cl2N4O and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(2,4-dichlorophenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: AE-848/37018286, 6-amino-4-(2,4-dichlorophenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2,4-dichlorophenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-4-(2,4-DICHLOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1,4-DIHYDROPYRANO[2,3-C]PYRAZOL-5-YL CYANIDE, 6-amino-4-(2,4-dichlorophenyl)-3-methyl-1-(p-tolyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H16Cl2N4O |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 5.01412 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.07013 |
| Heavy Atoms | 28 |
| Complexity | 1156.384 |
Chemical Identifiers
| CAS Number | 342591-45-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=C(C=C(C=C4)Cl)Cl)C(=N2)C |
Product Overview
AE-848/37018286 (CAS 342591-45-1), with molecular formula C21H16Cl2N4O and molecular weight 410.07 g/mol. IUPAC: 6-amino-4-(2,4-dichlorophenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of AE-848/37018286
Property Insights of AE-848/37018286
The XLogP value of 5.01412 indicates that AE-848/37018286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/37018286. Following Lipinski's Rule of Five, AE-848/37018286 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/37018286?
The CAS number of AE-848/37018286 is 342591-45-1.
What is the molecular formula of AE-848/37018286?
The molecular formula of AE-848/37018286 is C21H16Cl2N4O.
What is the molecular weight of AE-848/37018286?
The molecular weight of AE-848/37018286 is 410.07 g/mol.
Where can I buy AE-848/37018286?
You can request a quote for AE-848/37018286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/37018286?
Yes, KEHONG BIO provides custom synthesis services for AE-848/37018286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.