Bionet1_000877
TL;DR: Bionet1_000877 (CAS 338409-11-3) is a chemical compound with molecular formula C13H9ClF3N5O2 and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: Bionet1_000877, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile, 1-[2-[3-Chloro-5-(trifluoromethyl)pyridin-2-ylamino]ethyl]-5-cyano-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H9ClF3N5O2 |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 1.58758 |
| Topological Polar Surface Area | 103.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.03967 |
| Heavy Atoms | 24 |
| Complexity | 913.5341 |
Chemical Identifiers
| CAS Number | 338409-11-3 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)NCCN2C=C(C(=O)NC2=O)C#N)C(F)(F)F |
Product Overview
Bionet1_000877 (CAS 338409-11-3), with molecular formula C13H9ClF3N5O2 and molecular weight 359.04 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of Bionet1_000877
Property Insights of Bionet1_000877
The XLogP value of 1.58758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000877. The TPSA of 103.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000877. Following Lipinski's Rule of Five, Bionet1_000877 has 2 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_000877?
The CAS number of Bionet1_000877 is 338409-11-3.
What is the molecular formula of Bionet1_000877?
The molecular formula of Bionet1_000877 is C13H9ClF3N5O2.
What is the molecular weight of Bionet1_000877?
The molecular weight of Bionet1_000877 is 359.04 g/mol.
Where can I buy Bionet1_000877?
You can request a quote for Bionet1_000877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000877?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.