Bionet1_002945
TL;DR: Bionet1_002945 (CAS 339016-45-4) is a chemical compound with molecular formula C15H11ClF3N3O3 and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] furan-2-carboxylate
Also Known As: Bionet1_002945, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2-furoate, 7L-925, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl furan-2-carboxylate, [1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] furan-2-carboxylate
| Molecular Formula | C15H11ClF3N3O3 |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 3.89798 |
| Topological Polar Surface Area | 88.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.0441 |
| Heavy Atoms | 25 |
| Complexity | 772.55927 |
Chemical Identifiers
| CAS Number | 339016-45-4 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_002945 (CAS 339016-45-4), with molecular formula C15H11ClF3N3O3 and molecular weight 373.04 g/mol. IUPAC: [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] furan-2-carboxylate.
Chemical Property Profile of Bionet1_002945
Property Insights of Bionet1_002945
The XLogP value of 3.89798 indicates that Bionet1_002945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002945. Following Lipinski's Rule of Five, Bionet1_002945 has 1 hydrogen bond donor(s) and 6 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_002945?
The CAS number of Bionet1_002945 is 339016-45-4.
What is the molecular formula of Bionet1_002945?
The molecular formula of Bionet1_002945 is C15H11ClF3N3O3.
What is the molecular weight of Bionet1_002945?
The molecular weight of Bionet1_002945 is 373.04 g/mol.
Where can I buy Bionet1_002945?
You can request a quote for Bionet1_002945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002945?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.