Bionet1_000867
TL;DR: Bionet1_000867 (CAS 338399-27-2) is a chemical compound with molecular formula C14H12ClF3N4O3 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione
Also Known As: Bionet1_000867, 5-acetyl-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4(1H,3H)-pyrimidinedione, 5-acetyl-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]pyrimidine-2,4-dione, 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]pyrimidine-2,4-dione
| Molecular Formula | C14H12ClF3N4O3 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 1.9185 |
| Topological Polar Surface Area | 96.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.055 |
| Heavy Atoms | 25 |
| Complexity | 920.7587 |
Chemical Identifiers
| CAS Number | 338399-27-2 |
|---|---|
| SMILES | CC(=O)C1=CN(C(=O)NC1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_000867 (CAS 338399-27-2), with molecular formula C14H12ClF3N4O3 and molecular weight 376.06 g/mol. IUPAC: 5-acetyl-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-dione.
Chemical Property Profile of Bionet1_000867
Property Insights of Bionet1_000867
The XLogP value of 1.9185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000867. The TPSA of 96.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000867. Following Lipinski's Rule of Five, Bionet1_000867 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_000867?
The CAS number of Bionet1_000867 is 338399-27-2.
What is the molecular formula of Bionet1_000867?
The molecular formula of Bionet1_000867 is C14H12ClF3N4O3.
What is the molecular weight of Bionet1_000867?
The molecular weight of Bionet1_000867 is 376.06 g/mol.
Where can I buy Bionet1_000867?
You can request a quote for Bionet1_000867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000867?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.