Bionet1_004555
TL;DR: Bionet1_004555 (CAS 53316-60-2) is a chemical compound with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: Bionet1_004555, 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BAS 00674191, 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H18N4O2 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.14297 |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 53316-60-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4 |
| InChIKey | VDANGQOCOBTKTG-UHFFFAOYSA-N |
Product Overview
Bionet1_004555 (CAS 53316-60-2), with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol. IUPAC: 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of Bionet1_004555
Property Insights of Bionet1_004555
The XLogP value of 4.0 indicates that Bionet1_004555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004555. Following Lipinski's Rule of Five, Bionet1_004555 has 1 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 Bionet1_004555?
The CAS number of Bionet1_004555 is 53316-60-2.
What is the molecular formula of Bionet1_004555?
The molecular formula of Bionet1_004555 is C21H18N4O2.
What is the molecular weight of Bionet1_004555?
The molecular weight of Bionet1_004555 is 358.14 g/mol.
Where can I buy Bionet1_004555?
You can request a quote for Bionet1_004555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004555?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.