Bionet1_000596
TL;DR: Bionet1_000596 (CAS 338979-30-9) is a chemical compound with molecular formula C15H20ClF3N6O and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(dimethylaminomethylideneamino)acetamide
Also Known As: Bionet1_000596, N'-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetyl)-N,N-dimethylhydrazonoformamide, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-N-(dimethylaminomethylideneamino)acetamide
| Molecular Formula | C15H20ClF3N6O |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 1.4969 |
| Topological Polar Surface Area | 64.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1339 |
| Heavy Atoms | 26 |
| Complexity | 659.2721 |
Chemical Identifiers
| CAS Number | 338979-30-9 |
|---|---|
| SMILES | CN(C)C=NNC(=O)CN1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_000596 (CAS 338979-30-9), with molecular formula C15H20ClF3N6O and molecular weight 392.13 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(dimethylaminomethylideneamino)acetamide.
Chemical Property Profile of Bionet1_000596
Property Insights of Bionet1_000596
The XLogP value of 1.4969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000596. The TPSA of 64.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000596. Following Lipinski's Rule of Five, Bionet1_000596 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_000596?
The CAS number of Bionet1_000596 is 338979-30-9.
What is the molecular formula of Bionet1_000596?
The molecular formula of Bionet1_000596 is C15H20ClF3N6O.
What is the molecular weight of Bionet1_000596?
The molecular weight of Bionet1_000596 is 392.13 g/mol.
Where can I buy Bionet1_000596?
You can request a quote for Bionet1_000596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000596?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.