Bionet1_002132
TL;DR: Bionet1_002132 (CAS 338411-85-1) is a chemical compound with molecular formula C20H14N6O2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(5-cyano-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-yl)ethenylamino]benzoate
Also Known As: Bionet1_002132, Methyl 2-[[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)ethenyl]amino]benzoate, Methyl 2-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)ethenyl]amino}benzoate, methyl 2-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}benzenecarboxylate
| Molecular Formula | C20H14N6O2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 3.01858 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.11783 |
| Heavy Atoms | 28 |
| Complexity | 1268.9071 |
Chemical Identifiers
| CAS Number | 338411-85-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC=CC2=NC=CC3=C2C=NC4=C(C=NN34)C#N |
Product Overview
Bionet1_002132 (CAS 338411-85-1), with molecular formula C20H14N6O2 and molecular weight 370.12 g/mol. IUPAC: methyl 2-[2-(5-cyano-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-yl)ethenylamino]benzoate.
Chemical Property Profile of Bionet1_002132
Property Insights of Bionet1_002132
The XLogP value of 3.01858 indicates that Bionet1_002132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002132. Following Lipinski's Rule of Five, Bionet1_002132 has 1 hydrogen bond donor(s) and 7 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_002132?
The CAS number of Bionet1_002132 is 338411-85-1.
What is the molecular formula of Bionet1_002132?
The molecular formula of Bionet1_002132 is C20H14N6O2.
What is the molecular weight of Bionet1_002132?
The molecular weight of Bionet1_002132 is 370.12 g/mol.
Where can I buy Bionet1_002132?
You can request a quote for Bionet1_002132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002132?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.