Bionet1_002138
TL;DR: Bionet1_002138 (CAS 338966-87-3) is a chemical compound with molecular formula C20H16N6O2 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(2,5-dimethoxyanilino)ethenyl]-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile
Also Known As: Bionet1_002138, 6-[2-(2,5-dimethoxyanilino)vinyl]pyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carbonitrile, 10-{2-[(2,5-dimethoxyphenyl)amino]ethenyl}-2,3,7,11-tetraazatricyclo[7.4.0.0(2),?]trideca-1(13),3,5,7,9,11-hexaene-5-carbonitrile
| Molecular Formula | C20H16N6O2 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 3.24918 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.13348 |
| Heavy Atoms | 28 |
| Complexity | 1238.886 |
Chemical Identifiers
| CAS Number | 338966-87-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC=CC2=NC=CC3=C2C=NC4=C(C=NN34)C#N |
Product Overview
Bionet1_002138 (CAS 338966-87-3), with molecular formula C20H16N6O2 and molecular weight 372.13 g/mol. IUPAC: 10-[2-(2,5-dimethoxyanilino)ethenyl]-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile.
Chemical Property Profile of Bionet1_002138
Property Insights of Bionet1_002138
The XLogP value of 3.24918 indicates that Bionet1_002138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002138. Following Lipinski's Rule of Five, Bionet1_002138 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_002138?
The CAS number of Bionet1_002138 is 338966-87-3.
What is the molecular formula of Bionet1_002138?
The molecular formula of Bionet1_002138 is C20H16N6O2.
What is the molecular weight of Bionet1_002138?
The molecular weight of Bionet1_002138 is 372.13 g/mol.
Where can I buy Bionet1_002138?
You can request a quote for Bionet1_002138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002138?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.