Bionet1_004070
TL;DR: Bionet1_004070 (CAS 1210908-77-2) is a chemical compound with molecular formula C16H16ClF3N2O3 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-[[1-(dimethylamino)-6,6,6-trifluoro-5-oxohexa-1,3-dien-3-yl]amino]benzoate
Also Known As: Bionet1_004070, DivK1c_002566, CDS1_001526, methyl 5-chloro-2-({(E)-1-[(E)-2-(dimethylamino)ethenyl]-4,4,4-trifluoro-3-oxo-1-butenyl}amino)benzenecarboxylate, methyl 5-chloro-2-[[1-(dimethylamino)-6,6,6-trifluoro-5-oxohexa-1,3-dien-3-yl]amino]benzoate
| Molecular Formula | C16H16ClF3N2O3 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.6291 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.08017 |
| Heavy Atoms | 25 |
| Complexity | 713.0668 |
Chemical Identifiers
| CAS Number | 1210908-77-2 |
|---|---|
| SMILES | CN(C)C=CC(=CC(=O)C(F)(F)F)NC1=C(C=C(C=C1)Cl)C(=O)OC |
Product Overview
Bionet1_004070 (CAS 1210908-77-2), with molecular formula C16H16ClF3N2O3 and molecular weight 376.08 g/mol. IUPAC: methyl 5-chloro-2-[[1-(dimethylamino)-6,6,6-trifluoro-5-oxohexa-1,3-dien-3-yl]amino]benzoate.
Chemical Property Profile of Bionet1_004070
Property Insights of Bionet1_004070
The XLogP value of 3.6291 indicates that Bionet1_004070 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Bionet1_004070 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004070 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_004070?
The CAS number of Bionet1_004070 is 1210908-77-2.
What is the molecular formula of Bionet1_004070?
The molecular formula of Bionet1_004070 is C16H16ClF3N2O3.
What is the molecular weight of Bionet1_004070?
The molecular weight of Bionet1_004070 is 376.08 g/mol.
Where can I buy Bionet1_004070?
You can request a quote for Bionet1_004070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004070?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.